Materials Consortia's OPTIMADE list of providers

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OPTIMADE provider "The Open Quantum Materials Database (OQMD)" (id: oqmd)

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General information

Short description: The OQMD is a database of DFT calculated thermodynamic and structural properties of materials

Project homepage: https://oqmd.org

Index Meta-Database URL: https://providers.optimade.org/index-metadbs/oqmd

Number of structures: 1,407,395

Detailed information

(information checked on Sunday September 20, 2026 at 09:50 UTC)
Index metaDB (/info)State of the /info endpoint of the index meta-database found found Index metaDB versionVersion of the index meta-database v1 Index metaDB (/links)State of the /links endpoint of the index meta-database found found

Databases served by this provider

  • The OQMD (oqmd, default sub-database)

    https://oqmd.org/optimade

    The Open Quantum Materials Database endpoint

    Properties served by this database:

    By entry type (click to expand):
    • structures
      • The full list of standard OPTIMADE properties.
      • _oqmd_band_gap Unit: eV
        Description: Electronic bandgap value of the structure
        Type: float
      • _oqmd_calculation_id Description: ID of the OQMD Calculation object. Can be used to see further details at oqmd.org/analysis/calculation/OQMDCalcID (Replace OQMDCalcID with the ID value)
        Type: integer
      • _oqmd_delta_e Unit: eV/atom
        Description: Formation energy of the structure
        Type: float
      • _oqmd_entry_id Description: ID of the OQMD Entry object. Can be used to see further details at oqmd.org/materials/entry/OQMDEntryID (Replace OQMDEntryID with the ID value)
        Type: integer
      • _oqmd_icsd_id Description: ICSD ID of the structure - if it a structure obtained from the Inorganic Crystal Structure Database (ICSD)
        Type: integer
      • _oqmd_prototype Description: Structural prototype used in the OQMD to generate this structure
        Type: string
      • _oqmd_spacegroup Description: Spacegroup of the structure
        Type: string
      • _oqmd_stability Unit: eV/atom
        Description: Stability data from formation energy value. The structure is predicted to be computationally stable if the value is zero.
        Type: float
      • _oqmd_volume Unit: Ao^3
        Description: Volume of the structure
        Type: float

    Validation

    ValidationResults of validation Passed 20 / 24
    ❌ http://oqmd.org/optimade/v1/structures?page_limit=4&page_offset=8&response_fields=immutable_id%2Cspecies_at_sites%2Cnperiodic_dimensions%2Clast_modified%2Cdimension_types%2Cassemblies%2Cnsites%2Celements%2Cnelements%2Celements_ratios%2Cspecies%2Cchemical_formula_reduced%2Cchemical_formula_anonymous%2Ccartesian_site_positions%2Cstructure_features%2Cchemical_formula_hill%2Clattice_vectors%2Cchemical_formula_descriptive

    ResponseError: HTTPSConnectionPool(host='oqmd.org', port=443): Read timed out. (read timeout=100)


    ❌ https://oqmd.org/optimade/v1

    ResponseError: Error when testing pagination: the response from `links->next` 'http://oqmd.org/optimade/v1/structures?page_limit=4&page_offset=8&response_fields=immutable_id%2Cspecies_at_sites%2Cnperiodic_dimensions%2Clast_modified%2Cdimension_types%2Cassemblies%2Cnsites%2Celements%2Cnelements%2Celements_ratios%2Cspecies%2Cchemical_formula_reduced%2Cchemical_formula_anonymous%2Ccartesian_site_positions%2Cstructure_features%2Cchemical_formula_hill%2Clattice_vectors%2Cchemical_formula_descriptive' failed the previous test.


    ❌ https://oqmd.org/optimade/v1/structures

    ResponseError: HTTPSConnectionPool(host='oqmd.org', port=443): Read timed out. (read timeout=100)


    ❌ https://oqmd.org/optimade/v1/structures

    ResponseError: Failed to get archetypal entry. Details: ResponseError: HTTPSConnectionPool(host='oqmd.org', port=443): Read timed out. (read timeout=100)