Materials Project MCP

Query the Materials Project database using the mp_api client. Requires an MP_API_KEY environment variable.

Install

pip install -r

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

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