Crystallography vs Oqmd — MCP Server Comparison | AllMCPs
Side-by-Side Model Context Protocol Comparison
Crystallography vs Oqmd
In-depth architectural comparison of the Crystallography and Oqmd MCP servers. Compare execution transports, security boundaries, tool capabilities, quality scores, and ready-to-paste client installation snippets for Claude, Cursor, Windsurf, and VS Code.
At a Glance & Executive Verdict
Crystallography
Databases · Remote HTTP/SSE
Quality: 48/100 (Fair) | Auth: No auth required
Oqmd
Databases · Remote HTTP/SSE
Quality: 48/100 (Fair) | Auth: No auth required
Verdict Summary: Choose Crystallography if you need specialized Databases tools running via a hosted cloud SSE transport. Choose Oqmd if your workspace requires Databases integration with remote web transport. Both servers can be configured concurrently in your client's mcpServers manifest.
Which MCP Server Should You Choose?
C
Choose Crystallography when:
You need dedicated capabilities in the Databases domain.
You prefer remote streaming HTTP/SSE transport architecture.
Your security boundary fits: No auth required (Free / Open Source).
Search the Crystallography Open Database (COD), an open repository of crystal structures (inorganic, organic, metal-organic, and mineral). Search by compound name (free text), chemical formula, or mineral name; returns matching crystal structures with unit-cell parameters, space group, year, and a…
get_structure
Look up a single crystal structure in the Crystallography Open Database (COD) by its numeric COD ID (e.g. "1009000"). Returns the compound/mineral name, chemical formula, space group, full unit-cell parameters (a, b, c, alpha, beta, gamma, volume), bibliographic details (title, authors, journal, ye…
get_cif
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 atomi…
Oqmd Tools (3)
search_materials
Ready-to-Paste Client Configurations
Paste either (or both) of these JSON server blocks into your client config file (e.g. claude_desktop_config.json or ~/.cursor/mcp.json).
Crystallography is categorized under Databases and uses a remote streaming HTTP/SSE transport. In contrast, Oqmd belongs to Databases using remote streaming HTTP/SSE transport. Select Crystallography when you need capabilities focused on databases and Oqmd when you require tools for databases.
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.…
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/element counts, ICSD id, and generic composition. Keyless.
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 made ONLY of the given elements with stability <= ~0 (on the convex hull). Keyless.