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

Project homepage: http://oqmd.org

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

Databases served by this provider

• The OQMD (oqmd, default sub-database)

  The Open Quantum Materials Database endpoint
  ValidationResults of validation Passed 22 / 51
  ❌ http://oqmd.org/optimade/v1/structures?page_limit=5&response_fields=chemical_formula_reduced,chemical_formula_anonymous,cartesian_site_positions,lattice_vectors,chemical_formula_descriptive,dimension_types,structure_features,elements,nperiodic_dimensions,nsites,chemical_formula_hill,species,elements_ratios,assemblies,nelements,species_at_sites,immutable_id,last_modified
  
  

  ValidationError: 36 validation errors for ValidatorStructureResponseMany
  data -> 0 -> attributes -> last_modified
  invalid datetime format (type=value_error.datetime)
  data -> 0 -> attributes -> elements
  value is not a valid list (type=type_error.list)
  data -> 0 -> attributes -> elements_ratios
  field required (type=value_error.missing)
  data -> 0 -> attributes -> chemical_formula_descriptive
  field required (type=value_error.missing)
  data -> 0 -> attributes -> chemical_formula_reduced
  Must omit proportion '1' from formula Cs1Ho1S4Si1 in 'chemical_formula_reduced' (type=value_error)
  data -> 0 -> attributes -> nperiodic_dimensions
  field required (type=value_error.missing)
  data -> 0 -> attributes -> species
  field required (type=value_error.missing)
  data -> 1 -> attributes -> last_modified
  invalid datetime format (type=value_error.datetime)
  data -> 1 -> attributes -> elements
  value is not a valid list (type=type_error.list)
  data -> 1 -> attributes -> elements_ratios
  field required (type=value_error.missing)
  data -> 1 -> attributes -> chemical_formula_descriptive
  field required (type=value_error.missing)
  data -> 1 -> attributes -> chemical_formula_reduced
  Must omit proportion '1' from formula Lu1 in 'chemical_formula_reduced' (type=value_error)
  data -> 1 -> attributes -> nperiodic_dimensions
  field required (type=value_error.missing)
  data -> 1 -> attributes -> species
  field required (type=value_error.missing)
  data -> 2 -> attributes -> last_modified
  invalid datetime format (type=value_error.datetime)
  data -> 2 -> attributes -> elements
  value is not a valid list (type=type_error.list)
  data -> 2 -> attributes -> elements_ratios
  field required (type=value_error.missing)
  data -> 2 -> attributes -> chemical_formula_descriptive
  field required (type=value_error.missing)
  data -> 2 -> attributes -> chemical_formula_reduced
  Must omit proportion '1' from formula Tm1 in 'chemical_formula_reduced' (type=value_error)
  data -> 2 -> attributes -> nperiodic_dimensions
  field required (type=value_error.missing)
  data -> 2 -> attributes -> species
  field required (type=value_error.missing)
  data -> 3 -> attributes -> last_modified
  invalid datetime format (type=value_error.datetime)
  data -> 3 -> attributes -> elements
  value is not a valid list (type=type_error.list)
  data -> 3 -> attributes -> elements_ratios
  field required (type=value_error.missing)
  data -> 3 -> attributes -> chemical_formula_descriptive
  field required (type=value_error.missing)
  data -> 3 -> attributes -> chemical_formula_reduced
  Must omit proportion '1' from formula Ne1 in 'chemical_formula_reduced' (type=value_error)
  data -> 3 -> attributes -> nperiodic_dimensions
  field required (type=value_error.missing)
  data -> 3 -> attributes -> species
  field required (type=value_error.missing)
  data -> 4 -> attributes -> last_modified
  invalid datetime format (type=value_error.datetime)
  data -> 4 -> attributes -> elements
  value is not a valid list (type=type_error.list)
  data -> 4 -> attributes -> elements_ratios
  field required (type=value_error.missing)
  data -> 4 -> attributes -> chemical_formula_descriptive
  field required (type=value_error.missing)
  data -> 4 -> attributes -> chemical_formula_reduced
  Must omit proportion '1' from formula La1 in 'chemical_formula_reduced' (type=value_error)
  data -> 4 -> attributes -> nperiodic_dimensions
  field required (type=value_error.missing)
  data -> 4 -> attributes -> species
  field required (type=value_error.missing)
  meta -> warnings -> 0
  value is not a valid dict (type=type_error.dict)

  
  ❌ http://oqmd.org/optimade/v1/structures?response_fields=_oqmd_calculation_id,_oqmd_volume,nperiodic_dimensions&page_limit=1
  
  

  ResponseError: Response fields not obeyed by 'structures':
  Expected: {'_oqmd_calculation_id', '_oqmd_volume', 'nperiodic_dimensions'}
  Returned: {'_oqmd_spacegroup', '_oqmd_calculation_id', 'chemical_formula_reduced', 'chemical_formula_anonymous', 'lattice_vectors', '_oqmd_icsd_id', 'structure_features', 'elements', '_oqmd_prototype', 'nelements', 'last_modified', 'cartesian_site_positions', '_oqmd_band_gap', 'nsites', '_oqmd_entry_id', '_oqmd_volume', '_oqmd_stability', 'species_at_sites', '_oqmd_delta_e'}

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=id > 4061229
  
  

  ResponseError: Request to 'structures?filter=id > 4061229' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=id > 4061229
  
  

  ResponseError: Unable to perform mandatory query 'id > 4061229', which raised the error: ResponseError: Request to 'structures?filter=id > 4061229' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=last_modified >= ""
  
  

  ResponseError: Request to 'structures?filter=last_modified >= ""' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=last_modified >= ""
  
  

  ResponseError: Unable to perform mandatory query 'last_modified >= ""', which raised the error: ResponseError: Request to 'structures?filter=last_modified >= ""' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=chemical_formula_reduced STARTS WITH "Re1"
  
  

  ResponseError: Request to 'structures?filter=chemical_formula_reduced STARTS WITH "Re1"' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=chemical_formula_reduced STARTS WITH "Re1"
  
  

  ResponseError: Unable to perform mandatory query 'chemical_formula_reduced STARTS WITH "Re1"', which raised the error: ResponseError: Request to 'structures?filter=chemical_formula_reduced STARTS WITH "Re1"' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=chemical_formula_anonymous STARTS WITH "A"
  
  

  ResponseError: Request to 'structures?filter=chemical_formula_anonymous STARTS WITH "A"' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=chemical_formula_anonymous STARTS WITH "A"
  
  

  ResponseError: Unable to perform mandatory query 'chemical_formula_anonymous STARTS WITH "A"', which raised the error: ResponseError: Request to 'structures?filter=chemical_formula_anonymous STARTS WITH "A"' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=1 < nelements
  
  

  ResponseError: Request to 'structures?filter=1 < nelements' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=1 < nelements
  
  

  ResponseError: Unable to perform mandatory query '1 < nelements', which raised the error: ResponseError: Request to 'structures?filter=1 < nelements' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=elements HAS ANY "R","e"
  
  

  ResponseError: Request to 'structures?filter=elements HAS ANY "R","e"' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=elements HAS ANY "R","e"
  
  

  ResponseError: Unable to perform mandatory query 'elements HAS ANY "R","e"', which raised the error: ResponseError: Request to 'structures?filter=elements HAS ANY "R","e"' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=1 < nsites
  
  

  ResponseError: Request to 'structures?filter=1 < nsites' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=1 < nsites
  
  

  ResponseError: Unable to perform mandatory query '1 < nsites', which raised the error: ResponseError: Request to 'structures?filter=1 < nsites' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_direct_site_positions
  
  

  ResponseError: Found unknown field '_oqmd_direct_site_positions' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=structure_features HAS ANY "assemblies","disorder","implicit_atoms","site_attachments"
  
  

  ResponseError: Request to 'structures?filter=structure_features HAS ANY "assemblies","disorder","implicit_atoms","site_attachments"' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=structure_features HAS ANY "assemblies","disorder","implicit_atoms","site_attachments"
  
  

  ResponseError: Unable to perform mandatory query 'structure_features HAS ANY "assemblies","disorder","implicit_atoms","site_attachments"', which raised the error: ResponseError: Request to 'structures?filter=structure_features HAS ANY "assemblies","disorder","implicit_atoms","site_attachments"' returned HTTP status code 400.
  Additional details from implementation:

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_entry_id
  
  

  ResponseError: Found unknown field '_oqmd_entry_id' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_calculation_id
  
  

  ResponseError: Found unknown field '_oqmd_calculation_id' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_icsd_id
  
  

  ResponseError: Found unknown field '_oqmd_icsd_id' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_band_gap
  
  

  ResponseError: Found unknown field '_oqmd_band_gap' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_delta_e
  
  

  ResponseError: Found unknown field '_oqmd_delta_e' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_volume
  
  

  ResponseError: Found unknown field '_oqmd_volume' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_stability
  
  

  ResponseError: Found unknown field '_oqmd_stability' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_prototype
  
  

  ResponseError: Found unknown field '_oqmd_prototype' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/; testing queries for structures->_oqmd_spacegroup
  
  

  ResponseError: Found unknown field '_oqmd_spacegroup' in `/info/structures` and no provider prefix was provided in `/info`

  
  ❌ http://oqmd.org/optimade/v1/structures?filter=_crazyprovider_field=2
  
  

  ValidationError: 1 validation error for ValidatorStructureResponseMany
  meta -> warnings -> 0
  value is not a valid dict (type=type_error.dict)