StructureInputs

class emmet.builders.materials.electronic_structure.StructureInputs(**data)

Bases: InputMeta

Parameters:
  • deprecated (bool)

  • material_id (Annotated[AlphaID | MPID, BeforeValidator(func=functools.partial(<function _fault_tolerant_id_serde at 0x7f75d76d4cc0>, padlen=8), json_schema_input_type=PydanticUndefined), PlainSerializer(func=functools.partial(<function _fault_tolerant_id_serde at 0x7f75d76d4cc0>, serialize=True, padlen=8), return_type=PydanticUndefined, when_used=always)] | None)

  • meta_structure (Annotated[StructureTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.structure_adapter.pop_empty_structure_keys, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.structure_adapter.<lambda>, return_type=~emmet.core.types.pymatgen_types.structure_adapter.TypedStructureDict, when_used=always)])

  • origins (list[PropertyOrigin])

  • warnings (list[str])

  • band_gap (float | None)

  • cbm (float | None)

  • vbm (float | None)

  • efermi (float | None)

  • is_gap_direct (bool | None)

  • is_metal (bool | None)

  • magnetic_ordering (Ordering | None)

model_config: ClassVar[ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].