neighbormodels.structure.get_subspecies_labels

get_subspecies_labels(cell_structure: pymatgen.core.structure.Structure, site_indices: List[int]) → List[Optional[str]]

Generates subspecies labels using the provided 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 list of site indices.

Returns:

A list of subspecies labels.