pymatgen.analysis.structure_prediction package — pymatgen 2026.3.9 documentation

# pymatgen.analysis.structure_prediction package

Utilities to predict new structures.

## Submodules

## pymatgen.analysis.structure_prediction.dopant_predictor module

Predicting potential dopants.

## pymatgen.analysis.structure_prediction.substitution_probability module

This module provides classes for representing species substitution probabilities.

## pymatgen.analysis.structure_prediction.substitutor module

This module provides classes for predicting new structures from existing ones.

## pymatgen.analysis.structure_prediction.volume_predictor module

Predict volumes of crystal structures.