pycalphad

Python package for CALPHAD thermodynamic calculations, phase equilibria, phase diagrams, database-driven calculations, and integration of computational thermodynamics into automated workflows.

Citation: pycalphad. Materials science software/tool. https://pycalphad.org/

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.