Materials Consortia's OPTIMADE list of providers

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OPTIMADE provider "open database of xtals" (id: odbx)

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General information

Short description: A public database of crystal structures mostly derived from ab initio structure prediction from the group of Dr Andrew Morris at the University of Birmingham https://ajm143.github.io

Project homepage: https://odbx.science

Index Meta-Database URL: https://optimade-index.odbx.science

Number of structures: 384,938

Detailed information

(information checked on Wednesday April 30, 2025 at 05:34 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

  • Google DeepMind's Gnome Dataset (gnome)

    https://optimade-gnome.odbx.science

    An OPTIMADE API for the recent dataset released by Google DeepMind containing 340k new on-hull materials, according to PBE.

    Properties served by this database:

    By entry type (click to expand):
    • references
      • The full list of standard OPTIMADE properties.
    • structures
      • The full list of standard OPTIMADE properties.
      • _gnome_bandgap Unit: eV
        Description: The band gap computed with PBE in eV
        Type: float
      • _gnome_decomposition_energy_per_atom Unit: eV
        Description: Decomposition energy in eV per atom, relative to stable phases on the convex hull of known phases(excluding the GNome dataset).
        Type: float
      • _gnome_formation_energy_per_atom Unit: eV
        Description: Formation energy per atom, computed versus elemental references with PBE
        Type: float
      • _gnome_space_group_it_number Description: The IT number of the space group of the structure
        Type: integer
      • _gnome_space_group_symbol_hermann_mauguin Description: The HM symbol of the space group of the structure
        Type: string

    Validation

    ValidationResults of validation Passed 44 / 45
    ❌ https://optimade-gnome.odbx.science/v1/structures?filter=last_modified%20%3E=%20%222024-11-21T17:45:56.855224%22

    ResponseError: Supposedly inclusive query 'last_modified >= "2024-11-21T17:45:56.855224"' did not include original entry ID '00019facb3' (with field 'last_modified' = 2024-11-21T17:45:56.855224) potentially indicating a problem with filtering on this field.