oqmd 3 tools

MCP server exposing 3 tools for oqmd.

Endpoint

This URL is a JSON-RPC 2.0 endpoint over HTTP. Issue POST requests with a JSON-RPC body. Browsers and search crawlers land here on GET.

POST https://gateway.pipeworx.io/oqmd/mcp
Content-Type: application/json

{"jsonrpc":"2.0","id":1,"method":"tools/list"}

search_materials — 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`.
get_material — Fetch a single OQMD material by its entry_id (e.g. 16525 = the Pbcn polymorph of Fe2O3). Returns formation energy (eV/atom), stability above hull, band gap, space group, prototype, cell volume, atom/element counts, ICSD id, and generic composition. Keyless.
stable_phases — List the ground-state (on-hull) phases of a chemical system — the thermodynamically stable compounds in OQMD for a given set of elements. e.g. "Fe-O" returns FeO, Fe2O3, Fe3O4. Restricts to materials made ONLY of the given elements with stability <= ~0 (on the convex hull). Keyless.

Code samples (curl / TypeScript / one-click client install), schemas, and the live playground are on the pack page:
https://pipeworx.io/packs/oqmd/

Pipeworx is an open MCP gateway connecting AI agents to live data. pipeworx.io