pymatgen

Q: How to install pymatgen?

Open your MCP config: ~/.claude.json. Then add the config to "mcpServers": { "pymatgen": { "command": "...", "args": [] } }. Finally, /mcp in Claude Code.

Q: What is pymatgen best for?

pymatgen is categorized under Data & Analytics. It covers: data-&-analytics.

New

19.9kSmitheryData & Analyticsby davila7

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

First seen 5/28/2026

Install & Usage

Open your MCP config

~/.claude.json

Add the server config

Add the configuration to "mcpServers": { "pymatgen": { "command": "...", "args": [] } }

Restart Claude Code

/mcp

View source on GitHub

data-&-analytics

Security Audits

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Frequently Asked Questions

What is pymatgen?

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

How to install pymatgen?

To install pymatgen: open your mcp config (~/.claude.json), then add the config to "mcpServers": { "pymatgen": { "command": "...", "args": [] } }. Finally, /mcp in Claude Code.

What is pymatgen best for?

pymatgen is a mcp categorized under Data & Analytics. It is designed for: data-&-analytics. Created by davila7.