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: 0

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 3 / 11

  ❌ https://oqmd.org/optimade/versions
  
  

  ResponseError: Request to 'versions' returned HTTP status code 502.
  Additional details from implementation:
  Could not parse response as JSON. Content type was 'text/html; charset=UTF-8'.

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

  ResponseError: Request to 'versions' returned HTTP status code 502.
  Additional details from implementation:
  Could not parse response as JSON. Content type was 'text/html; charset=UTF-8'.

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

  ResponseError: Request to 'info/structures' returned HTTP status code 502.
  Additional details from implementation:
  Could not parse response as JSON. Content type was 'text/html; charset=UTF-8'.

  
  ❌ https://oqmd.org/optimade/v1/structures?page_limit=4&response_fields=species,structure_features,elements,chemical_formula_hill,lattice_vectors,dimension_types,elements_ratios,chemical_formula_anonymous,assemblies,chemical_formula_reduced,cartesian_site_positions,chemical_formula_descriptive,nperiodic_dimensions,last_modified,immutable_id,species_at_sites,nsites,nelements
  
  

  ResponseError: Request to 'structures?page_limit=4&response_fields=species,structure_features,elements,chemical_formula_hill,lattice_vectors,dimension_types,elements_ratios,chemical_formula_anonymous,assemblies,chemical_formula_reduced,cartesian_site_positions,chemical_formula_descriptive,nperiodic_dimensions,last_modified,immutable_id,species_at_sites,nsites,nelements' returned HTTP status code 502.
  Additional details from implementation:
  Could not parse response as JSON. Content type was 'text/html; charset=UTF-8'.

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

  ResponseError: Unable to test endpoint `page_limit` parameter.

  
  ❌ https://oqmd.org/optimade/v1/structures?page_limit=4&response_fields=species,structure_features,elements,chemical_formula_hill,lattice_vectors,dimension_types,elements_ratios,chemical_formula_anonymous,assemblies,chemical_formula_reduced,cartesian_site_positions,chemical_formula_descriptive,nperiodic_dimensions,last_modified,immutable_id,species_at_sites,nsites,nelements
  
  

  ResponseError: Request failed

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

  ResponseError: Unable to generate filters for endpoint structures: 'info/structures' response was malformed.

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

  ResponseError: Request to 'links' returned HTTP status code 502.
  Additional details from implementation:
  Could not parse response as JSON. Content type was 'text/html; charset=UTF-8'.