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: 502878

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 / 59

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

  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_descriptive%20%3C%20%22CaMgO6Si2%22
  
  

  ResponseError: Entry 1000015 with value 'chemical_formula_descriptive': CaMgO6Si2 was not excluded by 'chemical_formula_descriptive < "CaMgO6Si2"'

  
  ❌ 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.