search_materials
Pack: oqmd · Endpoint: https://gateway.pipeworx.io/oqmd/mcp
Search the Open Quantum Materials Database for DFT-computed inorganic materials by composition and/or constituent elements, with optional band-gap and thermodynamic-stability filters. Returns formation energy (eV/atom), energy above the convex hull (stability), band gap, space group, and prototype. Keyless. Provide at least composition or element_set.
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
composition | string | no | Exact composition, e.g. “Fe2O3”, “LiCoO2”. Matched as an exact stoichiometry. |
element_set | string | no | Constituent elements the material must contain. Use OQMD set syntax: “(Al-O)” = contains Al or O; “(Fe-O),Ni” = (Fe or O) and Ni. A plain comma list like “Fe,O” is also accepted. |
band_gap_min | number | no | Minimum band gap in eV (exclusive). e.g. 0.5 to find semiconductors/insulators. |
max_stability | number | no | Maximum energy above the convex hull in eV/atom (exclusive). 0 = exactly on the hull (thermodynamically stable / ground state). e.g. 0.05 keeps near-stable phases. |
limit | number | no | Max results, default 10, max 25. |
Example call
curl -X POST https://gateway.pipeworx.io/oqmd/mcp \
-H 'Content-Type: application/json' \
-d '{"jsonrpc":"2.0","id":1,"method":"tools/call","params":{"name":"search_materials","arguments":{}}}'Connect
Add this to your MCP client config, or use one-click install buttons:
{
"mcpServers": {
"oqmd": {
"url": "https://gateway.pipeworx.io/oqmd/mcp"
}
}
}See Getting Started for client-specific install steps.