get_cif

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

Fetch the full CIF (Crystallographic Information File) for a COD structure by its numeric COD ID — the actual machine-readable structure: symmetry operations and the atom sites (element, fractional x/y/z coordinates, occupancy). Use after search_structures/get_structure when you need the real atomic structure, not just the metadata/link. Returns the CIF text plus a parsed summary (formula, space group, cell, atom count). Keyless.

Parameters

Example call

curl -X POST https://gateway.pipeworx.io/crystallography/mcp \
  -H 'Content-Type: application/json' \
  -d '{"jsonrpc":"2.0","id":1,"method":"tools/call","params":{"name":"get_cif","arguments":{}}}'

Connect

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

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

See Getting Started for client-specific install steps.