@pipeworx/oqmd

Connect: https://pipeworx.io/mcp — every tool in the catalog, including @pipeworx/oqmd’s. Install: one-click buttons

Connect to just the @pipeworx/oqmd pack

https://gateway.pipeworx.io/oqmd/mcp — only @pipeworx/oqmd’s own tools, nothing else in the catalog.

No MCP client? Skip the connection: POST https://gateway.pipeworx.io/v1/tools/search_packs {"query":"..."} to find a tool below, GET /v1/tools/<name> for its schema, POST the same URL with arguments for the data — see For AI agents.

Tools: 3

Tools

  • 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 formatio
  • 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/e
  • 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 material

Tools

  • 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/e
  • 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 formatio
  • 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 ma

Regenerated from source · build October 24, 2026