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.
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| 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 |
| get_elastic_constants | Mechanical properties |
| get_suggested_substrates | Find substrates for thin films |
| get_thermo_stability | Thermodynamic stability analysis |
| get_surface_properties | Surface energies, work functions, and Wulff shapes |
| get_grain_boundaries | Computed grain boundaries for a material |
| get_insertion_electrodes | Insertion electrode and battery data |
| get_oxidation_states | Element oxidation states, formula, and structure info |
{
"mcpServers": {
"Materials Project MCP": {
"command": "docker",
"args": [
"run",
"--rm",
"-i",
"-e",
"MP_API_KEY=your-materials-project-api-key",
"benedict2002/materials-project-mcp"
]
}
}
}From the project documentation. Replace placeholders and example paths before connecting.
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