Result
- class ase2sprkkr.asr.convex_hull.Result(hform, ehull, coefs, indices, references, thermodynamic_stability_level)[source]
Class hierarchy
Constructor
- Parameters:
hform (float)
ehull (float)
coefs (List[float] | None)
indices (List[int] | None)
references (List[dict])
thermodynamic_stability_level (str)
- __init__(hform, ehull, coefs, indices, references, thermodynamic_stability_level)
Instantiate result.
- Parameters:
data (Dict[str, Any]) – Input data to be wrapped.
metadata (dict) – Dictionary containing metadata.
strict (bool or None) – Strictly enforce data entries in data.
- property ehull: float
Energy above convex hull [eV/atom].
- property hform: float
Heat of formation [eV/atom].
- property references: List[dict]
List of relevant references.
- property thermodynamic_stability_level: str
Thermodynamic stability level.
- property coefs: List[float] | None
Fraction of decomposing references (see indices doc).
- property indices: List[int] | None
Indices of references that this structure will decompose into.
- key_descriptions: Dict[str, str] = {'coefs': 'Fraction of decomposing references (see indices doc).', 'ehull': 'Energy above convex hull [eV/atom].', 'hform': 'Heat of formation [eV/atom].', 'indices': 'Indices of references that this structure will decompose into.', 'references': 'List of relevant references.', 'thermodynamic_stability_level': 'Thermodynamic stability level.'}
- formats = {'ase_webpanel': <function webpanel>}
- _known_data_keys = {'coefs', 'ehull', 'hform', 'indices', 'references', 'thermodynamic_stability_level'}
- strict = True