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pymatgen

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

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Install

armory install pymatgen --cli claude

writes the skill into.claude/skills/pymatgen/SKILL.mdListed as compatible

Configuration
# fetches the source and writes it to:
.claude/skills/pymatgen/SKILL.md

Needs the armory CLI · not on npm yet, build it from cli/ in the repository

What it is

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

When to use it

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

How to install / invoke

# Copy the skill into your .claude/skills/ directory
curl -sL https://raw.githubusercontent.com/davila7/claude-code-templates/main/cli-tool/components/skills/scientific/pymatgen/SKILL.md -o .claude/skills/pymatgen/SKILL.md

Notes

Extracted from davila7/claude-code-templates, pymatgen category.