pymatgen.analysis.disorder module

This module provides various methods to analyze order/disorder in materials.

get_warren_cowley_parameters(structure: pymatgen.core.structure.Structure, r: float, dr: float) Dict[Tuple, float][source]

Warren-Crowley parameters

Parameters
  • structure – Pymatgen Structure.

  • r – Radius

  • dr – Shell width

Returns

-1.0, …}

Return type

Warren-Crowley parameters in the form of a dict, e.g., {(Element Mo, Element W)