A Model Context Protocol (MCP) server for querying the Materials Project database using the mp_api client.
A Model Context Protocol (MCP) server for querying the Materials Project database using the mp_api client. That is what the materials project mcp mcp server brings to an AI assistant: the same capability, reachable through the Model Context Protocol rather than a separate app or dashboard.
benedict2002/materials-project-mcp on a container image is all you need. Most clients run it directly, so configuration is a few lines and a restart.
The server publishes 14 tools. What each one is for:
search_materials — Search by elements, band gap range, stabilityget_structure_by_id — Get crystal structures and lattice parametersget_electronic_bandstructure — Plot electronic band structuresget_electronic_dos_by_id — Get electronic density of statesget_phonon_bandstructure — Plot phonon band structuresget_phonon_dos_by_id — Get phonon density of statesget_ion_reference_data_for_chemsys — Download aqueous ion reference data for Pourbaix diagramsget_cohesive_energy — Calculate cohesive energiesget_atom_reference_data — Retrieve reference energies of isolated neutral atomsget_magnetic_data_by_id — Magnetic properties and orderingget_charge_density_by_id — Charge density dataget_dielectric_data_by_id — Dielectric constants and propertiesConfiguration is passed through the environment: MP_API_KEY. Treat anything key-shaped as a real credential — scope it to the minimum the server needs, and rotate it if it ever lands in a shared config.
This sits in the database access group, where several servers overlap in what they claim to do but differ sharply once you actually set them up. Materials Project MCP's toolset — search_materials, get_structure_by_id, get_electronic_bandstructure and 11 more — is a fair guide to whether it matches your workflow. It is maintained by benedictdebrah; worth a glance at recent repository activity before you build anything load-bearing on it.
We check each listing at SyncDev against the project's documentation before it goes live — if something here drifts out of date, it is a bug worth reporting.
| Tool | What it does |
|---|---|
| search_materials | Search by elements, band gap range, stability |
| get_structure_by_id | Get crystal structures and lattice parameters |
| get_electronic_bandstructure | Plot electronic band structures |
| get_electronic_dos_by_id | Get electronic density of states |
| get_phonon_bandstructure | Plot phonon band structures |
| get_phonon_dos_by_id | Get phonon density of states |
| get_ion_reference_data_for_chemsys | Download aqueous ion reference data for Pourbaix diagrams |
| get_cohesive_energy | Calculate cohesive energies |
| get_atom_reference_data | Retrieve reference energies of isolated neutral atoms |
| get_magnetic_data_by_id | Magnetic properties and ordering |
| get_charge_density_by_id | Charge density data |
| get_dielectric_data_by_id | Dielectric constants and properties |
| get_diffraction_patterns | X-ray and neutron diffraction |
| get_xRay_absorption_spectra | XAFS, XANES, EXAFS spectra |
{
"mcpServers": {
"Materials Project MCP": {
"command": "docker",
"args": [
"run", "--rm", "-i",
"-e", "MP_API_KEY=your-materials-project-api-key",
"benedict2002/materials-project-mcp"
]
}
}
}Configuration as documented by the project. Restart the client after saving.
| Variable | Description | Required |
|---|---|---|
| MP_API_KEY | Credential the server authenticates with. | Yes |
Read-only SQL access to Postgres — let your assistant inspect schemas and answer questions from real data.
Manage your whole Supabase project in conversation — database, auth, storage, Edge Functions and branches.
Query, modify and analyse local SQLite databases in conversation — the fastest way to chat with a data file.
Metabase ships its own MCP endpoint — search your BI content, build and run queries, and save questions and dashboards without leaving the chat.
Official MongoDB server covering data, schemas and Atlas management — from find queries to spinning up clusters.
Serverless Postgres with database branching — point your assistant at Neon and let it work on disposable copies.