Summary
Information on the Summary endpoint and its data.
This is the go-to endpoint for most queries. It is a route providing a large amount of combined data for a material. This is constructed by combining subsets of data from many of the other API endpoints. The summary endpoint is very useful for performing queries for materials over a large property space. Note that every unique material within the Materials Project should have a set of summary data. See the SummaryDoc schema below for a full list of data fields returned, and the alternative source endpoint in which they can be found.
MPDataEntry objects containing SummaryDoc data will be returned from theMPRester.summary.search method.

MPDataEntry<SummaryDoc>

  • builder_meta (EmmetMeta): Builder metadata.
  • nsites (integer): Total number of sites in the structure. Source endpoint: materials
  • elements (list): List of elements in the material. Source endpoint: materials
  • nelements (integer): Number of elements. Source endpoint: materials
  • composition (dictionary): Full composition for the material. Source endpoint: materials
  • composition_reduced (dictionary): Simplified representation of the composition. Source endpoint: materials
  • formula_pretty (string): Cleaned representation of the formula. Source endpoint: materials
  • formula_anonymous (string): Anonymized representation of the formula. Source endpoint: materials
  • chemsys (string): dash-delimited string of elements in the material. Source endpoint: materials
  • volume (float): Total volume for this structure in ų. Source endpoint: materials
  • density (float): Density in grams per cm³. Source endpoint: materials
  • density_atomic (float): The atomic packing density in atoms/cm³. Source endpoint: materials
  • symmetry (SymmetryData): Symmetry data for this material. Source endpoint: materials
  • material_id (string): The Materials Project ID of the material, used as a universal reference across property documents.This comes in the form: mp-******. Source endpoint: materials
  • deprecated (boolean): Whether this property document is deprecated. Source endpoint: provenance
  • deprecation_reasons (list): List of deprecation tags detailing why this document isn't valid. Source endpoint: provenance
  • last_updated (string): Timestamp for the most recent calculation update for this property.
  • origins (list): Dictionary for tracking the provenance of properties.
  • warnings (list): Any warnings related to this property.
  • structure (dictionary): The lowest energy structure for this material. Source endpoint: materials
  • task_ids (list): List of Calculations IDs associated with this material. Source endpoint: materials
  • uncorrected_energy_per_atom (float): The total DFT energy of this material per atom in eV/atom. Source endpoint: thermo
  • energy_per_atom (float): The total corrected DFT energy of this material per atom in eV/atom. Source endpoint: thermo
  • formation_energy_per_atom (float): The formation energy per atom in eV/atom. Source endpoint: thermo
  • energy_above_hull (float): The energy above the hull in eV/Atom. Source endpoint: thermo
  • is_stable (boolean): Flag for whether this material is on the hull and therefore stable. Source endpoint: thermo
  • equilibrium_reaction_energy_per_atom (float): The reaction energy of a stable entry from the neighboring equilibrium stable materials in eV. Also known as the inverse distance to hull. Source endpoint: thermo
  • decomposes_to (list): List of decomposition data for this material. Only valid for metastable or unstable material. Source endpoint: thermo
  • xas (list): List of xas documents. Source endpoint: xas
  • grain_boundaries (list): List of grain boundary documents. Source endpoint: grain_boundary
  • band_gap (float): Band gap energy in eV. Source endpoint: electronic_structure
  • cbm (number, object): Conduction band minimum data. Source endpoint: electronic_structure
  • vbm (number, object): Valence band maximum data. Source endpoint: electronic_structure
  • efermi (float): Fermi energy in eV. Source endpoint: electronic_structure
  • is_gap_direct (boolean): Whether the band gap is direct. Source endpoint: electronic_structure
  • is_metal (boolean): Whether the material is a metal. Source endpoint: electronic_structure
  • es_source_calc_id (string, integer): The source calculation ID for the electronic structure data. Source endpoint: electronic_structure
  • bandstructure (BandstructureData): Band structure data for the material. Source endpoint: electronic_structure
  • dos (DosData): Density of states data for the material. Source endpoint: electronic_structure
  • dos_energy_up (float): Spin-up DOS band gap in eV. Source endpoint: electronic_structure
  • dos_energy_down (float): Spin-down DOS band gap in eV. Source endpoint: electronic_structure
  • is_magnetic (boolean): Whether the material is magnetic. Source endpoint: magnetism
  • ordering (string): Type of magnetic ordering. Source endpoint: magnetism
  • total_magnetization (float): Total magnetization in μB. Source endpoint: magnetism
  • total_magnetization_normalized_vol (float): Total magnetization normalized by volume in μB/ų. Source endpoint: magnetism
  • total_magnetization_normalized_formula_units (float): Total magnetization normalized by formula unit in μB/f.u. . Source endpoint: magnetism
  • num_magnetic_sites (integer): The number of magnetic sites. Source endpoint: magnetism
  • num_unique_magnetic_sites (integer): The number of unique magnetic sites. Source endpoint: magnetism
  • types_of_magnetic_species (list): Magnetic specie elements. Source endpoint: magnetism
  • k_voigt (float): Voigt average of the bulk modulus in GPa. Source endpoint: elasticity
  • k_reuss (float): Reuss average of the bulk modulus in GPa. Source endpoint: elasticity
  • k_vrh (float): Voigt-Reuss-Hill average of the bulk modulus in GPa. Source endpoint: elasticity
  • g_voigt (float): Voigt average of the shear modulus in GPa. Source endpoint: elasticity
  • g_reuss (float): Reuss average of the shear modulus in GPa. Source endpoint: elasticity
  • g_vrh (float): Voigt-Reuss-Hill average of the shear modulus in GPa. Source endpoint: elasticity
  • universal_anisotropy (float): Elastic anisotropy. Source endpoint: elasticity
  • homogeneous_poisson (float): Poisson's ratio. Source endpoint: elasticity
  • e_total (float): Total dielectric constant. Source endpoint: dielectric
  • e_ionic (float): Ionic contribution to dielectric constant. Source endpoint: dielectric
  • e_electronic (float): Electronic contribution to dielectric constant. Source endpoint: dielectric
  • n (float): Refractive index. Source endpoint: dielectric
  • e_ij_max (float): Piezoelectric modulus. Source endpoint: piezoelectric
  • weighted_surface_energy_EV_PER_ANG2 (float): Weighted surface energy in eV/Ų. Source endpoint: surface_properties
  • weighted_surface_energy (float): Weighted surface energy in J/m². Source endpoint: surface_properties
  • weighted_work_function (float): Weighted work function in eV. Source endpoint: surface_properties
  • surface_anisotropy (float): Surface energy anisotropy. Source endpoint: surface_properties
  • shape_factor (float): Shape factor. Source endpoint: surface_properties
  • has_reconstructed (boolean): Whether the material has any reconstructed surfaces. Source endpoint: surface_properties
  • possible_species (list): Possible charged species in this material. Source endpoint: oxidation_states
  • has_props (list): List of properties that are available for a given material. Source endpoint: summary
  • theoretical (boolean): Whether the material is theoretical. Source endpoint: provenance
Alternatively, the query parameters defined below can be used with direct HTTP requests, or as input parameters to the MPRester.summary._search method. The same parameter information can also be found here.
get
/summary/{material_id}/
Get a SummaryDoc document by by material_id
get
/summary/
Get SummaryDoc documents

Export as PDF
Copy link
Edit on GitHub