SurfaceEntry

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

Bases: BaseModel

Surface energies, miller indicies, …

Parameters:

• miller_index (list[int] | None)

• surface_energy_EV_PER_ANG2 (float | None)

• surface_energy (float | None)

• is_reconstructed (bool | 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)

• work_function (float | None)

• efermi (float | None)

• area_fraction (float | None)

• has_wulff (bool | None)

classmethod get_structure_from_cif(v)

Transform legacy CIF data to pymatgen Structure.

Return type:

Structure | None

Parameters:

v (Any)

model_config: ClassVar[ConfigDict] = {}

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