make_parent_supercell_info#

casm.tools.map.methods.make_parent_supercell_info(
structure_mapping: StructureMapping,
parent_prim: Prim,
) → dict[source]#

Make a dictionary with information about the parent supercell.

Parameters:

  • structure_mapping (StructureMapping) – The structure mapping between the parent and child structures.

  • parent_prim (casmconfig.Prim) – The parent structure, as a Prim.

Returns:

data – A dictionary containing information about the supercell, including:

  • volume: The volume of the supercell relative to child_prim.

  • factor_group_size: The size of the factor group of the supercell.

  • spacegroup_type: The space group type of the supercell, determined by spglib from the symmetry determined by CASM.

Return type:

dict