lib-pymatgen
OfficialMaterials science toolkit for structure analysis.
Education & Research#pymatgen#crystallography#materials science#computational chemistry#structure analysis#materials project
Authorbiomaps-infra
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill simplifies complex materials science tasks, from structure manipulation and file conversion to advanced analysis of properties like phase diagrams and electronic structures.
Core Features & Use Cases
- Structure Handling: Create, manipulate, and convert crystal structures and molecules.
- Materials Analysis: Analyze symmetry, coordination, phase diagrams, electronic structure, surfaces, and more.
- Materials Project Integration: Seamlessly access and utilize data from the Materials Project database.
- Use Case: You need to convert a VASP POSCAR file to CIF format, analyze its space group, and then calculate its band gap using data from the Materials Project.
Quick Start
Use the lib-pymatgen skill to read a structure from 'POSCAR' and save it as 'structure.cif'.
Dependency Matrix
Required Modules
None requiredComponents
scriptsreferences
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: lib-pymatgen Download link: https://github.com/biomaps-infra/blender-opencode/archive/main.zip#lib-pymatgen Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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