diff --git a/mp_api/client/mprester.py b/mp_api/client/mprester.py index 83838ec2..b3685d36 100644 --- a/mp_api/client/mprester.py +++ b/mp_api/client/mprester.py @@ -949,9 +949,7 @@ def get_ion_reference_data(self) -> list[dict]: query={"project": "ion_ref_data"}, fields=["identifier", "formula", "data"], paginate=True, - ).get( - "data" - ) # type: ignore + ).get("data") # type: ignore def get_ion_reference_data_for_chemsys(self, chemsys: str | list) -> list[dict]: """Download aqueous ion reference data used in the construction of Pourbaix diagrams. @@ -1135,15 +1133,15 @@ def get_entries_in_chemsys( ): """Helper method to get a list of ComputedEntries in a chemical system. For example, elements = ["Li", "Fe", "O"] will return a list of all - entries in the Li-Fe-O chemical system, i.e., all LixOy, - FexOy, LixFey, LixFeyOz, Li, Fe and O phases. Extremely useful for - creating phase diagrams of entire chemical systems. + entries in the parent Li-Fe-O chemical system, as well as all subsystems + (i.e., all LixOy, FexOy, LixFey, LixFeyOz, Li, Fe and O phases). Extremely + useful for creating phase diagrams of entire chemical systems. Note that by default this returns mixed GGA/GGA+U entries. For others, pass GGA/GGA+U/R2SCAN, or R2SCAN as thermo_types in additional_criteria. Args: - elements (str or [str]): Chemical system string comprising element + elements (str or [str]): Parent chemical system string comprising element symbols separated by dashes, e.g., "Li-Fe-O" or List of element symbols, e.g., ["Li", "Fe", "O"]. use_gibbs: If None (default), DFT energy is returned. If a number, return @@ -1230,8 +1228,10 @@ def get_bandstructure_by_material_id( Returns: bandstructure (Union[BandStructure, BandStructureSymmLine]): BandStructure or BandStructureSymmLine object """ - return self.electronic_structure_bandstructure.get_bandstructure_from_material_id( # type: ignore - material_id=material_id, path_type=path_type, line_mode=line_mode + return ( + self.electronic_structure_bandstructure.get_bandstructure_from_material_id( # type: ignore + material_id=material_id, path_type=path_type, line_mode=line_mode + ) ) def get_dos_by_material_id(self, material_id: str):