# pymatgen

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

- Source: https://doutorai.pt/en/components/skills__pymatgen
- Type: Skills
- Category: Scientific
- Downloads: 7
- Site: Doutor AI (https://doutorai.pt/en) - AI tools for small businesses

An open-source community component, curated and adapted by Doutor AI.

## What it does and how to use it

A **skill** that teaches Claude Code to do scientific tasks well. It is packaged knowledge the model uses whenever it is relevant.

1. Install the skill (command above).
2. In Claude Code, describe what you need - the skill turns on by itself when the context fits.
3. No commands to memorize: you talk in plain language and the skill does the rest.

## Install (Claude Code)

```bash
mkdir -p .claude/skills/pymatgen && curl -fsSL https://doutorai.pt/data/lib/skills__pymatgen.md -o .claude/skills/pymatgen/SKILL.md
```

Paste this command into the terminal, in your project folder, and the component installs automatically.

## Content

```
---
name: pymatgen
description: "Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science."
---

# Pymatgen - Python Materials Genomics

## Overview

Pymatgen is a comprehensive Python library for materials analysis that powers the Materials Project. Create, analyze, and manipulate crystal structures and molecules, compute phase diagrams and thermodynamic properties, analyze electronic structure (band structures, DOS), generate surfaces and interfaces, and access Mater

- 🔒 Full content on the Pro plan (€7.99/month) -
```

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## Save hours every week with AI, no hassle

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Content by Doutor AI (https://doutorai.pt/en). When quoting, please cite the source: https://doutorai.pt/en/components/skills__pymatgen