Short description: A public database of crystal structures mostly derived from ab initio structure prediction from the group of Dr Andrew Morris at the University of Birmingham https://ajm143.github.io

Project homepage: https://odbx.science

Index Meta-Database URL: https://optimade-index.odbx.science

Number of structures: 689321

Databases served by this provider

• odbx (odbx, default sub-database)

  https://optimade.odbx.science

  The Open Database of Xtals is run by the group of Dr Andrew Morris at the universities of Birmingham and Cambridge and is constructed using the matador library.
  ValidationResults of validation Passed 58 / 63

  ❌ https://optimade.odbx.science/v1/;%20testing%20queries%20for%20structures-%3E_odbx_dft_parameters
  
  

  ResponseError: Cannot validate queries on '_odbx_dft_parameters' as field type was not reported in `/info/structures`

  
  ❌ https://optimade.odbx.science/v1/;%20testing%20queries%20for%20structures-%3E_odbx_thermodynamics
  
  

  ResponseError: Cannot validate queries on '_odbx_thermodynamics' as field type was not reported in `/info/structures`

  
  ❌ https://optimade.odbx.science/v1/;%20testing%20queries%20for%20structures-%3E_odbx_calculator
  
  

  ResponseError: Cannot validate queries on '_odbx_calculator' as field type was not reported in `/info/structures`

  
  ❌ https://optimade.odbx.science/v1/;%20testing%20queries%20for%20structures-%3E_odbx_space_group
  
  

  ResponseError: Cannot validate queries on '_odbx_space_group' as field type was not reported in `/info/structures`

  
  ❌ https://optimade.odbx.science/v1/;%20testing%20queries%20for%20structures-%3E_odbx_submitter
  
  

  ResponseError: Cannot validate queries on '_odbx_submitter' as field type was not reported in `/info/structures`

  
  

• Miscellaneous Materials Discovery Data (odbx_misc)

  https://optimade-misc.odbx.science

  Miscellaneous Materials Discovery Datasets, hosted as an OPTIMADE API (temporarily).
  ValidationResults of validation Passed 42 / 44

  ❌ https://optimade-misc.odbx.science/v1/structures/law-gnn-Li2Ge2O5_icsd_280481_1?response_fields=elements,elements_ratios,chemical_formula_anonymous,chemical_formula_reduced,dimension_types,cartesian_site_positions,nelements,structure_features,last_modified,immutable_id,nsites,species_at_sites,nperiodic_dimensions,species,lattice_vectors,chemical_formula_descriptive,assemblies,chemical_formula_hill
  
  

  ResponseError: Request to 'structures/law-gnn-Li2Ge2O5_icsd_280481_1?response_fields=elements,elements_ratios,chemical_formula_anonymous,chemical_formula_reduced,dimension_types,cartesian_site_positions,nelements,structure_features,last_modified,immutable_id,nsites,species_at_sites,nperiodic_dimensions,species,lattice_vectors,chemical_formula_descriptive,assemblies,chemical_formula_hill' returned HTTP status code 404.
  Additional details from implementation:
  Not Found: Instead of a single entry, 5 entries were found (N/A)

  
  ❌ https://optimade-misc.odbx.science/v1/structures?filter=id%20=%20%22law-gnn-Li1Sc2Cd1F9_icsd_281502_1%22
  
  

  ResponseError: Filter for an individual 'id' returned 5 results, when only 1 was expected.