OQMD (Materials)

liveChemistryScience

Open Quantum Materials Database (OQMD) — search DFT-computed inorganic materials by composition, retrieve formation energy, stability, and band gap data.

3tools

0msauth

free tier50 calls/day

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

No parameters required.

▶Try it

Response

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

No parameters required.

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Response

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

No parameters required.

▶Try it

Response

Test with curl

The gateway speaks JSON-RPC 2.0 over HTTP POST. You can test any pack directly from the terminal.

List available tools

bash

curl -X POST https://gateway.pipeworx.io/oqmd/mcp \
  -H "Content-Type: application/json" \
  -d '{"jsonrpc":"2.0","id":1,"method":"tools/list"}'

Call a tool

bash

curl -X POST https://gateway.pipeworx.io/oqmd/mcp \
  -H "Content-Type: application/json" \
  -d '{"jsonrpc":"2.0","id":2,"method":"tools/call","params":{"name":"search_materials","arguments":{}}}'

Use with the SDK

Install @pipeworx/sdk to call tools from any TypeScript/Node project.

TypeScript

import { Pipeworx } from '@pipeworx/sdk';
const px = new Pipeworx();
const result = await px.call("search_materials", {});

ask_pipeworx

// Or ask in plain English:
const answer = await px.ask("open quantum materials database (oqmd) — search dft-computed inorganic materials by composition, retrieve formation energy, stability, and band gap data");

Related packs

Other Pipeworx packs in the same categories (Chemistry, Science):

MCP Config

claude_desktop_config.json

{
  "mcpServers": {
    "pipeworx-oqmd": {
      "command": "npx",
      "args": [
        "-y",
        "mcp-remote",
        "https://gateway.pipeworx.io/oqmd/mcp"
      ]
    }
  }
}