pymatgen.analysis.disorder module

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

get_warren_cowley_parameters(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)