pymatgen

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Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

By tools-only schedule Updated 2/3/2026

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Skill instructions (SKILL.md) could not be loaded from local cache or raw GitHub repository.

Install via CLI

npx skills add https://github.com/tools-only/X-Skills --skill pymatgen

Repository Details

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article Path SKILL.md

Occupations

Materials Scientists