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Oqmd

Registre officiel Données et bases de données

OQMD (Open Quantum Materials Database) MCP.

Code source Site web Documentation

Installation

Ajoutez ceci à la configuration MCP de votre client (Claude Desktop : claude_desktop_config.json ; Cursor : .cursor/mcp.json ; VS Code et les autres utilisent la même forme « mcpServers »).

Remote (streamable-http)
Claude Code 
claude mcp add --transport http oqmd 'https://gateway.pipeworx.io/oqmd/mcp'
Configuration JSON (Claude Desktop, Cursor, VS Code) 
{
    "mcpServers": {
        "oqmd": {
            "type": "http",
            "url": "https://gateway.pipeworx.io/oqmd/mcp"
        }
    }
}

Documentation

Tirée du README du projet sur GitHub, actualisée chaque semaine. Les liens ouvrent GitHub.

Sommaire
  1. mcp-oqmd
  2. Tools
  3. Quick Start
  4. No MCP client? Call it over HTTP
  5. Standalone (no gateway account)
  6. Using with ask_pipeworx
  7. More
  8. License

mcp-oqmd

OQMD (Open Quantum Materials Database) MCP.

Part of Pipeworx — an MCP gateway connecting AI agents to 1683+ live data sources.

Tools

ToolDescription
search_materialsSearch 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.
get_materialFetch 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/element counts, ICSD id, and generic composition. Keyless.
stable_phasesList 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 made ONLY of the given elements with stability <= ~0 (on the convex hull). Keyless.

Quick Start

Add to your MCP client (Claude Desktop, Cursor, Windsurf, etc.):

{
  "mcpServers": {
    "oqmd": {
      "url": "https://gateway.pipeworx.io/oqmd/mcp"
    }
  }
}
What this endpoint actually serves

tools/list at https://gateway.pipeworx.io/oqmd/mcp returns the tools in the table above plus the shared Pipeworx meta-tools — ask_pipeworx, discover_tools, search_within, remember/recall and the rest of the gateway-wide set. So the tool count you see is larger than this table: a single-pack endpoint currently lists roughly 30 shared tools alongside the pack's own. The connection's initialize response states its exact scope, and is the authoritative answer for a given day.

This is deliberate, not multiplexing by accident. The meta-tools are what let a scoped connection answer a question this pack does not cover — via ask_pipeworx, which routes across the whole catalog — without you adding a second MCP server. There is currently no way to mount a pack endpoint without them; if the extra schemas cost you more context than the routing is worth, connect to the full gateway once rather than to several pack endpoints.

Or connect to the full Pipeworx gateway to get every pack's tools listed directly, instead of just this one's:

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

Both URLs reach the same gateway and the same 1683+ data sources. The only difference is which pack's tools are listed directly; ask_pipeworx reaches all of them from either one.

No MCP client? Call it over HTTP

curl -X POST https://gateway.pipeworx.io/v1/tools/search_materials \
  -H 'Content-Type: application/json' \
  -d '{"composition":"Fe2O3"}'

No account needed for the first calls. Inspect any tool: GET https://gateway.pipeworx.io/v1/tools/search_materials. Find one: POST https://gateway.pipeworx.io/v1/tools/search_packs with {"query":"..."}.

Standalone (no gateway account)

This package also runs as a local stdio MCP server — no Pipeworx account, no gateway round-trip:

{
  "mcpServers": {
    "oqmd": {
      "command": "npx",
      "args": ["-y", "@pipeworx/mcp-oqmd"]
    }
  }
}

Or run it directly to confirm it starts:

npx -y @pipeworx/mcp-oqmd

It speaks MCP over stdin/stdout and answers initialize/tools/list/tools/call for only this pack's tools — none of the shared meta-tools the gateway connection above adds. Same source, same tools, no ask_pipeworx routing.

Using with ask_pipeworx

Instead of calling tools directly, you can ask questions in plain English — this works on the pack endpoint above as well as on the full gateway:

ask_pipeworx({ question: "your question about Oqmd data" })

The gateway picks the right tool and fills the arguments automatically.

More

License

MIT

Questions fréquentes

Qu'est-ce que Oqmd ?

OQMD (Open Quantum Materials Database) MCP.

Comment installer Oqmd ?

Il fonctionne comme serveur distant. Dans Claude Code : claude mcp add --transport http oqmd 'https://gateway.pipeworx.io/oqmd/mcp'. Pour les autres clients, collez la configuration JSON de cette page dans leurs réglages MCP.

Faut-il une clé API pour Oqmd ?

Son entrée au registre n'indique aucune clé ni secret obligatoire. Certaines fonctions peuvent tout de même demander un compte auprès du service auquel il se connecte.

Oqmd est-il open source ?

Oui. Son code est sur GitHub sous licence MIT.

Qui maintient Oqmd ?

Il est publié par pipeworx-io. AI.tn le référence sans le maintenir ni le recommander.

Issu du registre MCP officiel. Être listé n'est pas une recommandation : vérifiez le code et les permissions d'un serveur avant de lui donner accès à vos données.