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using-vasp-for-first-principles-materials-calculations MCP tools

Production-ready MCP servers that extend AI capabilities through file access, database connections, APIs, and contextual services.

52,602 tools. Last updated 2026-01-02 18:38
  • Retrieve crystal structure data for materials from the Materials Project database in CIF, POSCAR, or JSON formats using material IDs.
    MIT License
  • Search for materials in the Materials Project database by entering a specific chemical formula. Returns a list of matching materials to aid in materials research and discovery.
    BSD 3-Clause
  • Retrieve comprehensive material properties from the Materials Project database by specifying a material ID. This tool provides detailed data for materials science analysis and research.
    MIT License

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