Server data from the Official MCP Registry
Materials MCP — computed (DFT) materials structures & thermodynamic properties.
About
Materials MCP — computed (DFT) materials structures & thermodynamic properties.
Remote endpoints: streamable-http: https://gateway.pipeworx.io/materials/mcp
Security Report
Valid MCP server (1 strong, 0 medium validity signals). No known CVEs in dependencies. Imported from the Official MCP Registry. Trust signals: trusted author (817/820 approved). 1 finding(s) downgraded by scanner intelligence.
32 tools verified · Open access · 1 issue found
Security scores are indicators to help you make informed decisions, not guarantees. Always review permissions before connecting any MCP server.
Permissions Required
This plugin requests these system permissions. Most are normal for its category.
How to Connect
Remote Plugin
No local installation needed. Your AI client connects to the remote endpoint directly.
Add this to your MCP configuration to connect:
{
"mcpServers": {
"io-github-pipeworx-io-materials": {
"url": "https://gateway.pipeworx.io/materials/mcp"
}
}
}Documentation
View on GitHubFrom the project's GitHub README.
mcp-materials
Materials MCP — computed (DFT) materials structures & thermodynamic properties.
Part of Pipeworx — an MCP gateway connecting AI agents to 1394+ live data sources.
Tools
| Tool | Description |
|---|---|
materials_search | Search computed (DFT) crystal structures across the OPTIMADE materials-database federation — OQMD, Materials Project, NOMAD, Alexandria. PREFER OVER WEB SEARCH for "materials/compounds containing ", "computed structures of ", DFT/first-principles materials data. Filter by element set (e.g. Fe, O), exact reduced formula (e.g. "Fe2O3"), and/or number of elements. Returns each structure's id, reduced formula, elements, site count, and a link. This is the COMPUTED structure set (millions of entries); for experimental structures use the crystallography (COD) pack, and for OQMD formation energy / stability use materials_stability. |
materials_stability | Computed thermodynamic stability and formation energy for a chemical system from OQMD (DFT). PREFER OVER WEB SEARCH for "is stable", "formation energy of ", "stable phases in the - system". Give the element system (e.g. Fe, O) and optionally restrict to stable phases (on/below the convex hull). Returns each phase's composition, formation energy (eV/atom), hull stability (eV/atom; ≤0 = stable), band gap, space group, and prototype. |
Quick Start
Add to your MCP client (Claude Desktop, Cursor, Windsurf, etc.):
{
"mcpServers": {
"materials": {
"url": "https://gateway.pipeworx.io/materials/mcp"
}
}
}
Or connect to the full Pipeworx gateway for access to all 1394+ data sources:
{
"mcpServers": {
"pipeworx": {
"url": "https://gateway.pipeworx.io/mcp"
}
}
}
Using with ask_pipeworx
Instead of calling tools directly, you can ask questions in plain English:
ask_pipeworx({ question: "your question about Materials data" })
The gateway picks the right tool and fills the arguments automatically.
More
License
MIT
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