`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

Arguments

{
  "composition": "Fe2O3"
}

curl

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":{"composition":"Fe2O3"}}}'

TypeScript (@pipeworx/sdk)

import { Pipeworx } from '@pipeworx/sdk';
const pipeworx = new Pipeworx();

const result = await pipeworx.call('search_materials', {
  "composition": "Fe2O3"
});

More examples

{
  "element_set": "(Fe-O)",
  "band_gap_min": 0.5,
  "max_stability": 0.05,
  "limit": 15
}

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.

search_materials