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)

  Open-access collection of crystal structures of organic, inorganic, metal-organics compounds and minerals, excluding biopolymers
  ValidationResults of validation Passed 29 / 32
  ❌ https://www.crystallography.net/cod/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: 26 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_hill
  Cannot use unknown chemical symbols ['D'] in 'chemical_formula_hill' (type=value_error)
  data -> 2 -> attributes -> species -> 44 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 44 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 45 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 45 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 46 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 46 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 47 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 47 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 48 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 48 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 49 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 49 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 50 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 50 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 51 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 51 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 52 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 52 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 53 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 53 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 54 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 54 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)
  data -> 2 -> attributes -> species -> 55 -> chemical_symbols -> 0
  'D' MUST be an element symbol, e.g., "C", "He", or a special symbol from ['X', 'vacancy']. (type=value_error)
  data -> 2 -> attributes -> species -> 55 -> concentration
  Could not validate 'concentration' as 'chemical_symbols' is missing/invalid. (type=value_error)

  
  ❌ https://www.crystallography.net/cod/optimade/v1/structures?filter=nsites > 132
  
  

  ResponseError: Unable to perform mandatory query 'nsites > 132', which raised the error: Request to 'structures?filter=nsites > 132' returned HTTP status code 501.
  Additional details from implementation:
  501 Not Implemented: queries are not supported for 'nsites' (N/A)

  
  ❌ https://www.crystallography.net/cod/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: Request to 'structures?filter=structure_features HAS ANY "assemblies","disorder","implicit_atoms","site_attachments"' returned HTTP status code 501.
  Additional details from implementation:
  501 Not Implemented: queries are not supported for 'structure_features' (N/A)