| unit | model | file_id | route_id | action_id | file_name | route_name |
|---|---|---|---|---|---|---|
| eV/atom | jv_formation_energy_peratom_alignn | 88e0e8c6-0d12-4a28-8cfc-f8904646476f | de2d96c5-b638-46c2-82f5-cae72aa4383c | 019f627f-bebf-7287-9a1b-f89ad0b68df2 | BiSI chalcohalide (Pnma, SbSI-type) | Predict a crystal property with ALIGNN |
| null | orb-v3-conservative-inf-mpa | 88e0e8c6-0d12-4a28-8cfc-f8904646476f | d040d3b6-faad-40cf-9d7c-999a5c769ed8 | 019f627b-a49d-76ff-bbeb-d1d62eb74d8d | BiSI chalcohalide (Pnma, SbSI-type) | Relax a crystal structure |
| null | orb-v3-conservative-inf-mpa | 88e0e8c6-0d12-4a28-8cfc-f8904646476f | d040d3b6-faad-40cf-9d7c-999a5c769ed8 | 019f627b-a49d-76ff-bbeb-d1d62eb74d8d | BiSI chalcohalide (Pnma, SbSI-type) | Relax a crystal structure |
| null | orb-v3-conservative-inf-mpa | 88e0e8c6-0d12-4a28-8cfc-f8904646476f | d040d3b6-faad-40cf-9d7c-999a5c769ed8 | 019f627b-a49d-76ff-bbeb-d1d62eb74d8d | BiSI chalcohalide (Pnma, SbSI-type) | Relax a crystal structure |
| μB | jv_magmom_oszicar_alignn | 2798bb6c-d0b5-468e-8fe9-1117852008e4 | de2d96c5-b638-46c2-82f5-cae72aa4383c | 019f68f1-4213-7c1b-a19b-3f65488a63ce | Ca2FeTaO6 Fm-3m double perovskite CIF - relaxed | Predict a crystal property with ALIGNN |
| eV/atom | jv_ehull_alignn | 2798bb6c-d0b5-468e-8fe9-1117852008e4 | de2d96c5-b638-46c2-82f5-cae72aa4383c | 019f68f1-3f6d-7620-a8c7-85a5fc02c4de | Ca2FeTaO6 Fm-3m double perovskite CIF - relaxed | Predict a crystal property with ALIGNN |
| eV/atom | mp_e_form_alignn | 2798bb6c-d0b5-468e-8fe9-1117852008e4 | de2d96c5-b638-46c2-82f5-cae72aa4383c | 019f68f1-3cb7-7982-8a94-ea89249049b8 | Ca2FeTaO6 Fm-3m double perovskite CIF - relaxed | Predict a crystal property with ALIGNN |
| eV/atom | jv_formation_energy_peratom_alignn | e7b3f6cc-376b-4b8e-a892-10c848a07854 | de2d96c5-b638-46c2-82f5-cae72aa4383c | 019f627f-e2e8-7214-9a0c-e3f36bb3cbb5 | BiSeBr chalcohalide (Pnma, SbSI-type) | Predict a crystal property with ALIGNN |
| null | orb-v3-conservative-inf-mpa | e7b3f6cc-376b-4b8e-a892-10c848a07854 | d040d3b6-faad-40cf-9d7c-999a5c769ed8 | 019f627e-0abc-7be9-8c90-13bd6c48dbbf | BiSeBr chalcohalide (Pnma, SbSI-type) | Relax a crystal structure |
| null | orb-v3-conservative-inf-mpa | e7b3f6cc-376b-4b8e-a892-10c848a07854 | d040d3b6-faad-40cf-9d7c-999a5c769ed8 | 019f627e-0abc-7be9-8c90-13bd6c48dbbf | BiSeBr chalcohalide (Pnma, SbSI-type) | Relax a crystal structure |
| null | orb-v3-conservative-inf-mpa | e7b3f6cc-376b-4b8e-a892-10c848a07854 | d040d3b6-faad-40cf-9d7c-999a5c769ed8 | 019f627e-0abc-7be9-8c90-13bd6c48dbbf | BiSeBr chalcohalide (Pnma, SbSI-type) | Relax a crystal structure |
| null | null | 00fc0a1d-cb0a-4381-b279-4fcc654334d8 | 75fe7f4b-22f5-4883-aa1d-378fd42da47c | 019f668f-81bb-70d3-a154-6815cd0ec7cb | Gd₂O₃ bixbyite (Ia-3) | Calculate energy above the convex hull |
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns file_id / action_id / route_id are Ouro references.