neighbormodels.structure.label_subspecies

label_subspecies(cell_structure: pymatgen.core.structure.Structure, site_indices: Union[List[int], int] = []) → None

Toggles subspecies grouping on the specified site indices. Sites not found in the list are labeled with the atomic species name.

Parameters:

• cell_structure – A pymatgen Structure object.
• site_indices – A site index or list of site indices all present in cell_structure (default []).