ElectronicStructureBaseData

class emmet.core.electronic_structure.ElectronicStructureBaseData(**data)

Bases: BaseModel

Parameters:
  • task_id (Annotated[MPID | AlphaID, BeforeValidator(func=~emmet.core.types.typing._fault_tolerant_id_serde, json_schema_input_type=PydanticUndefined), PlainSerializer(func=~emmet.core.types.typing.<lambda>, return_type=PydanticUndefined, when_used=always)])

  • band_gap (float)

  • cbm (float | None)

  • vbm (float | None)

  • efermi (float | None)

model_config: ClassVar[ConfigDict] = {}

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