alterlab-pymatgen
CommunityMaster materials analysis with pymatgen workflows.
AuthorAlterLab-IEU
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Materials scientists often spend excessive time orchestrating multiple tools to analyze crystal structures, generate phase diagrams, and interpret electronic structure data; this Skill provides a unified, scriptable workflow powered by pymatgen to streamline those tasks.
Core Features & Use Cases
- Structure manipulation and analysis (read, modify, and analyze structures)
- File format conversion and I/O across CIF, POSCAR, XYZ, and more
- Phase diagrams, thermodynamics, and Materials Project data integration for high-throughput studies
- Electronic structure analysis workflows (band structure, DOS, etc.)
- Materials Project data access and integration for high-throughput research
- CLI scripts for common tasks (conversion, analysis, phase diagrams)
Quick Start
Load a structure file (CIF, POSCAR, etc.) with Structure.from_file and run the quick-start workflow to generate a basic analysis and visualization.
Dependency Matrix
Required Modules
pymatgenmp-api
Components
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: alterlab-pymatgen Download link: https://github.com/AlterLab-IEU/AlterLab-Academic-Skills/archive/main.zip#alterlab-pymatgen Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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