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

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

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

Number of structures: 508,857

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-organic compounds and minerals, excluding biopolymers
  ValidationResults of validation Passed 56 / 61

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

  ValidationError: 2 validation errors for ValidatorStructureResponseMany
  data.2.attributes.chemical_formula_reduced
  Value error, Cannot use unknown chemical symbols ['D'] in 'chemical_formula_reduced' [type=value_error, input_value='C3D3O7Sr', input_type=str]
  For further information visit https://errors.pydantic.dev/2.5/v/value_error
  data.2.attributes.chemical_formula_hill
  Value error, Cannot use unknown chemical symbols ['D'] in 'chemical_formula_hill' [type=value_error, input_value='C3D3O7Sr', input_type=str]
  For further information visit https://errors.pydantic.dev/2.5/v/value_error

  
  ❌ https://www.crystallography.net/cod/optimade/v1/structures?filter=chemical_formula_anonymous%20%3E=%20%22A12B4C3D3E%22
  
  

  ResponseError: Unable to perform mandatory query 'chemical_formula_anonymous >= "A12B4C3D3E"', which raised the error: Request to 'structures?filter=chemical_formula_anonymous >= "A12B4C3D3E"' 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%20%3E=%20%22Al6Cl2Na8O24Si6%22
  
  

  ResponseError: Supposedly inclusive query 'chemical_formula_descriptive >= "Al6Cl2Na8O24Si6"' did not include original entry ID '1000028' (with field 'chemical_formula_descriptive' = Al6Cl2Na8O24Si6) potentially indicating a problem with filtering on this field.

  
  ❌ https://www.crystallography.net/cod/optimade/v1/structures?filter=chemical_formula_reduced%20%3E=%20%22Al3ClNa4O12Si3%22
  
  

  ResponseError: Unable to perform mandatory query 'chemical_formula_reduced >= "Al3ClNa4O12Si3"', which raised the error: Request to 'structures?filter=chemical_formula_reduced >= "Al3ClNa4O12Si3"' 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/;%20testing%20queries%20for%20structures-%3Estructure_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.