Short description: Open-access collection of crystal structures of organic, inorganic, metal-organics compounds and minerals, excluding biopolymers

Project homepage: https://www.crystallography.net/cod

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

Databases served by this provider

• Crystallography Open Database (cod, default sub-database)

  https://www.crystallography.net/cod/optimade

  Open-access collection of crystal structures of organic, inorganic, metal-organics compounds and minerals, excluding biopolymers
  ValidationResults of validation Passed 50 / 55
  ❌ https://www.crystallography.net/cod/optimade/v1/structures?page_limit=4&response_fields=chemical_formula_reduced,chemical_formula_descriptive,cartesian_site_positions,nsites,structure_features,immutable_id,chemical_formula_hill,chemical_formula_anonymous,dimension_types,elements_ratios,last_modified,lattice_vectors,elements,species_at_sites,nelements,assemblies,nperiodic_dimensions,species
  
  

  ValidationError: 3 validation errors for ValidatorStructureResponseMany
  data -> 2 -> attributes -> elements -> 1
  Only chemical symbols are allowed, you passed: D (type=value_error)
  data -> 2 -> attributes -> chemical_formula_reduced
  Cannot use unknown chemical symbols ['D'] in 'chemical_formula_reduced' (type=value_error)
  data -> 2 -> attributes -> chemical_formula_hill
  Cannot use unknown chemical symbols ['D'] in 'chemical_formula_hill' (type=value_error)

  
  ❌ https://www.crystallography.net/cod/optimade/v1/structures?filter=chemical_formula_anonymous >= "A12B4C3D2"
  
  

  ResponseError: Unable to perform mandatory query 'chemical_formula_anonymous >= "A12B4C3D2"', which raised the error: Request to 'structures?filter=chemical_formula_anonymous >= "A12B4C3D2"' returned HTTP status code 501.
  Additional details from implementation:
  501 Not Implemented: queries are not supported for 'chemical_formula_anonymous' (N/A)

  
  ❌ https://www.crystallography.net/cod/optimade/v1/structures?filter=chemical_formula_descriptive >= "H2Mg3O12Si4"
  
  

  ResponseError: Supposedly inclusive query 'chemical_formula_descriptive >= "H2Mg3O12Si4"' did not include original entry ID '1000036' (with field 'chemical_formula_descriptive' = H2Mg3O12Si4) potentially indicating a problem with filtering on this field.

  
  ❌ https://www.crystallography.net/cod/optimade/v1/structures?filter=chemical_formula_reduced >= "H2Mg3O12Si4"
  
  

  ResponseError: Unable to perform mandatory query 'chemical_formula_reduced >= "H2Mg3O12Si4"', which raised the error: Request to 'structures?filter=chemical_formula_reduced >= "H2Mg3O12Si4"' returned HTTP status code 501.
  Additional details from implementation:
  501 Not Implemented: queries are not supported for 'chemical_formula_reduced' (N/A)

  
  ❌ https://www.crystallography.net/cod/optimade/v1/; testing queries for structures->structure_features
  
  

  ResponseError: Chosen entry had no value for 'structure_features' with support level SupportLevel.MUST and queryability SupportLevel.MUST, so cannot construct test queries. This field should potentially be removed from the `/info/structures` endpoint response.