SurfacePropDoc

class emmet.core.surface_properties.SurfacePropDoc(**data)

Bases: BaseModel

Model for a document containing surface properties data

Parameters:
  • surfaces (list[SurfaceEntry] | None)

  • weighted_surface_energy_EV_PER_ANG2 (float | None)

  • weighted_surface_energy (float | None)

  • surface_anisotropy (float | None)

  • pretty_formula (str | None)

  • shape_factor (float | None)

  • weighted_work_function (float | None)

  • has_reconstructed (bool | None)

  • material_id (Annotated[MPID | AlphaID, BeforeValidator(func=functools.partial(<function _fault_tolerant_id_serde at 0x7f75d76d4cc0>, legacy=True, prefix='mp', padlen=8), json_schema_input_type=PydanticUndefined), PlainSerializer(func=functools.partial(<function _fault_tolerant_id_serde at 0x7f75d76d4cc0>, serialize=True, legacy=True, prefix='mp', padlen=8), return_type=PydanticUndefined, when_used=always)] | 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)

model_config: ClassVar[ConfigDict] = {}

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