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[DOC] Add metadata on PhaseTransition and update docs #185

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Merged
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Sep 29, 2024
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[DOC] Add metadata on PhaseTransition and update docs #185

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5e629d6
update docs
lmmentel Sep 29, 2024
5d1c377
add metadata
lmmentel Sep 29, 2024
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24 changes: 24 additions & 0 deletions docs/source/data.rst
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Expand Up @@ -401,6 +401,30 @@ Oxidation States
| ``oxidation_state`` | Oxidation state | | stored | :cite:`enwiki:1102394064` |
+---------------------+--------------------------------------------------------------------------+------+--------------+---------------------------+

Phase Transitions
=================

+------------------------------+--------------------------------------+------+--------------+-----------------------+
| Attribute name | Description | Unit | Value origin | Citation keys |
+==============================+======================================+======+==============+=======================+
| ``allotrope`` | Allotrope name | | stored | :cite:`haynes2016crc` |
+------------------------------+--------------------------------------+------+--------------+-----------------------+
| ``atomic_number`` | Atomic number | | stored | |
+------------------------------+--------------------------------------+------+--------------+-----------------------+
| ``boiling_point`` | Boiling point | K | stored | :cite:`haynes2016crc` |
+------------------------------+--------------------------------------+------+--------------+-----------------------+
| ``critical_pressure`` | Critical pressure | MPa | stored | :cite:`haynes2016crc` |
+------------------------------+--------------------------------------+------+--------------+-----------------------+
| ``critical_temperature`` | Critical temperature | K | stored | :cite:`haynes2016crc` |
+------------------------------+--------------------------------------+------+--------------+-----------------------+
| ``melting_point`` | Melting point | K | stored | :cite:`haynes2016crc` |
+------------------------------+--------------------------------------+------+--------------+-----------------------+
| ``triple_point_pressure`` | Pressure in kPa of the triple point | kPa | stored | :cite:`haynes2016crc` |
+------------------------------+--------------------------------------+------+--------------+-----------------------+
| ``triple_point_temperature`` | Temperature in K of the triple point | K | stored | :cite:`haynes2016crc` |
+------------------------------+--------------------------------------+------+--------------+-----------------------+


Screening Constants
===================

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27 changes: 27 additions & 0 deletions notebooks/render-docs-from-metadata.ipynb
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Expand Up @@ -202,6 +202,33 @@
"table = render_doc_table(\"OxidationState\")\n",
"print(table)"
]
},
{
"cell_type": "markdown",
"id": "3408b575-0b11-4320-8847-8a44d09fc033",
"metadata": {},
"source": [
"## Phase Transition"
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "ad55bb92-9a44-4130-9d5c-5ec53fea519e",
"metadata": {},
"outputs": [],
"source": [
"table = render_doc_table(\"PhaseTransition\")\n",
"print(table)"
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "c33e17c6-0814-42ca-a33e-cbb64bd9db3c",
"metadata": {},
"outputs": [],
"source": []
}
],
"metadata": {
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