BandStructure

class emmet.core.band_theory.BandStructure(**data)

Bases: BandTheoryBase

Define the schema of band structures.

This class is generic enough to accommodate both electronic and phonon band structures.

Parameters:

• identifier (str | None)

• 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)] | None)

• qpoints (list[tuple[float, float, float]])

• lattice_rec (Annotated[tuple[tuple[float, float, float], tuple[float, float, float], tuple[float, float, float]], BeforeValidator(func=~emmet.core.band_theory._deser_lattice, json_schema_input_type=PydanticUndefined)])

• labels_dict (dict[str, tuple[float, float, float]])

model_config: ClassVar[ConfigDict] = {'populate_by_name': True, 'validate_by_alias': True, 'validate_by_name': True}

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