pymatgen

Use pymatgen for explicit, provenance-preserving work with compositions, molecules, periodic structures, computed entries, symmetry, phase diagrams, electronic structures, and electronic-structure-code files. Treat every parse, conversion, symmetry assignment, transformation, and database result as method- and parameter-dependent.

The MIT frontmatter license covers this skill. pymatgen and pymatgen-core are MIT; mp-api declares BSD-3-Clause-LBNL. Materials Project data is generally CC BY 4.0, while contributed data remains owned by its contributors. Check the exact artifact and data terms before redistribution.

Verified snapshot (2026-07-23)

• pymatgen==2026.5.4 is the latest stable wrapper release (2026-05-04). Package metadata requires Python 3.11+ and directly requires pymatgen-core>=2026.4.16.
• pymatgen-core==2026.7.16 is the latest stable core release (2026-07-16). It now contains core objects, symmetry/lattice operations, and the I/O layer, all under the existing pymatgen.* namespace.
• mp-api==0.46.4 is the latest stable Materials Project client (2026-06-15), requires Python 3.11+, and depends on pymatgen>2024.2.20.
• The curr…