`materials_search`

Pack: materials · Endpoint: https://gateway.pipeworx.io/materials/mcp

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.

Parameters

Name	Type	Required	Description
`elements`	string	no	Element symbols the structure must contain ALL of, comma/space separated, e.g. “Fe, O” or “Li Fe P O”.
`formula`	string	no	Exact composition, e.g. “Fe2O3” or “LiFePO4”. Normalized to OPTIMADE reduced form automatically.
`nelements`	number	no	Restrict to structures with exactly this many distinct elements (e.g. 2 for binaries).
`provider`	string	no	Which database to query. Default “oqmd”.
`limit`	number	no	Max structures to return (1-50, default 20).

Example call

Arguments

{
  "elements": "Fe, O",
  "formula": "Fe2O3",
  "limit": 10
}

curl

curl -X POST https://gateway.pipeworx.io/materials/mcp \
  -H 'Content-Type: application/json' \
  -d '{"jsonrpc":"2.0","id":1,"method":"tools/call","params":{"name":"materials_search","arguments":{"elements":"Fe, O","formula":"Fe2O3","limit":10}}}'

TypeScript (@pipeworx/sdk)

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

const result = await pipeworx.call('materials_search', {
  "elements": "Fe, O",
  "formula": "Fe2O3",
  "limit": 10
});

More examples

{
  "elements": "Li Fe P O",
  "nelements": 4,
  "provider": "mp",
  "limit": 20
}

Connect

Add this to your MCP client config, or use one-click install buttons:

{
  "mcpServers": {
    "materials": {
      "url": "https://gateway.pipeworx.io/materials/mcp"
    }
  }
}

See Getting Started for client-specific install steps.

materials_search