"Crystal" matching MCP servers:

Enables querying crystallographic data from the Crystallography Open Database (COD) via natural language or direct tool calls, allowing AI agents to retrieve and analyze crystal structure information.

Provides AI assistants with access to materials science databases, enabling search and analysis of material properties, crystal structures, phase diagrams, and elastic properties through the Materials Project API.

Enables CIF inspection, d-spacing and powder pattern calculations, triacylglycerol polymorph fingerprinting, and structure comparison through pymatgen.

Provides crystal structure generation, inspection, and export tools via MCP, supporting vacancy, interstitial, doping, solid-solution, surface, grain-boundary, interface, stacking-fault, and dislocation generators with deterministic outputs and optional Materials Project integration.

A Model Context Protocol server that provides access to materials databases through the OPTIMADE API, with focus on Google DeepMind's GNoME dataset containing millions of predicted crystal structures.

An educational MCP server that wraps the Materials Project API, exposing tools to search chemical systems, get material summaries, find semiconductors by band gap, and retrieve crystal structure facts.