Fast endpoints for working with crystal structures (CIF). Extract symmetry and composition, expand supercells with optional vacuum padding, estimate raw material cost from elemental market prices, and predict magnetic properties (Curie temperature and site moments / estimated Ms) using CHGNet-based models.
Fast endpoints for working with crystal structures (CIF). Extract symmetry and composition, expand supercells with optional vacuum padding, estimate raw material cost from elemental market prices, and predict magnetic properties (Curie temperature and site moments / estimated Ms) using CHGNet-based models.