Individual skill
pymatgen
Analyzes, validates, converts, and transforms materials structures and computed materials data with pymatgen. Use for local phase diagrams, symmetry sensitivity, electronic-structure I/O, and bounded Materials Project queries.
skills/pymatgen/SKILL.md
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Read excerpt
# 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 (2026-09-30)