IcsdPropertyDoc

class emmet.core.connectors.icsd.schemas.IcsdPropertyDoc(**data)

Bases: BaseModel

General container for ICSD data.

Parameters:

• collection_code (int | None)

• icsd_internal_id (int | None)

• cif (str | None)

• subset (IcsdSubset | None)

• ccdc_no (int | None)

• ccdc (int | None)

• h_m_s (str | None)

• pearson_symbol (str | None)

• wyckoff_sequence (str | None)

• structured_formula (str | None)

• sum_formula (str | None)

• a_n_x_formula (str | None)

• a_b_formula (str | None)

• structure_type (str | None)

• title (str | None)

• authors (list[str] | None)

• journal (str | None)

• publication_year (int | None)

• volume (int | None)

• page (str | None)

• reference (str | None)

• cell_parameter (CellParameters | None)

• reduced_cell_parameter (CellParameters | None)

• standardised_cell_parameter (CellParameters | None)

• cell_volume (UFloat | None)

• formula_units_per_cell (int | None)

• formula_weight (float | None)

• temperature (float | None)

• pressure (float | None)

• r_value (float | None)

• chemical_name (str | None)

• mineral_name (str | None)

• mineral_name_ima (str | None)

• mineral_group (str | None)

• mineral_series (str | None)

• mineral_root_group (str | None)

• mineral_sub_group (str | None)

• mineral_super_group (str | None)

• mineral_sub_class (str | None)

• mineral_class (str | None)

• calculated_density (UFloat | None)

• measured_density (UFloat | None)

• quality (int | None)

• keywords (str | None)

• pdf (str | None)

• structures (list[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)

• cif_parsing_errors (list[str] | None)

model_config: ClassVar[ConfigDict] = {'use_enum_values': True}

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

classmethod deserialize(config)

Parse ICSD data into a structured format.

Return type:

Any

Parameters:

config (Any)