Short description: JARVIS is a repository designed to automate materials discovery using classical force-field, density functional theory, machine learning calculations and experiments.

Project homepage: https://jarvis.nist.gov

Index Meta-Database URL: https://providers.optimade.org/index-metadbs/jarvis

Number of structures: 77,096

Databases served by this provider

• JARVIS-DFT (jarvis, default sub-database)

  https://jarvis.nist.gov/optimade/jarvisdft

  JARVIS-DFT is a materials property repository focused on density functional theory (DFT) predictions of material properties, especially for crystalline materials.
  ValidationResults of validation Passed 27 / 33

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

  ValidationError: 3 validation errors for ValidatorStructureResponseMany
  data.1.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['O', 'Co', 'Zn'] [type=value_error, input_value=['O', 'Co', 'Zn'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.7/v/value_error
  data.2.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['Ba', 'Mn', 'Ge'] [type=value_error, input_value=['Ba', 'Mn', 'Ge'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.7/v/value_error
  data.3.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['S', 'Cd', 'Dy'] [type=value_error, input_value=['S', 'Cd', 'Dy'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.7/v/value_error

  
  ❌ https://jarvis.nist.gov/optimade/jarvisdft/v1/structures?response_fields=chemical_formula_anonymous,_jarvis_source,species_at_sites&page_limit=1
  
  

  ResponseError: Response fields not obeyed by 'structures':
  Expected: {'chemical_formula_anonymous', '_jarvis_source', 'species_at_sites'}
  Returned: {'_jarvis_kpoint_length_unit', '_jarvis_source', 'structure_features', '_jarvis_hse_gap', '_jarvis_mbj_bandgap', '_jarvis_search', 'chemical_formula_descriptive', 'cartesian_site_positions', 'nperiodic_dimensions', '_jarvis_exfoliation_energy', '_jarvis_magmom_oszicar', '_jarvis_ehull', '_jarvis_spillage', 'nsites', '_jarvis_spg_number', '_jarvis_encut', '_jarvis_bulk_modulus_kv', 'species_at_sites', 'nelements', '_jarvis_formation_energy_peratom', 'chemical_formula_reduced', 'elements', 'chemical_formula_anonymous', 'dimension_types', '_jarvis_optb88vdw_bandgap', 'elements_ratios', '_jarvis_shear_modulus_gv', 'last_modified', 'species', '_jarvis_optb88vdw_total_energy', 'lattice_vectors', '_jarvis_icsd', '_jarvis_reference', '_jarvis_crys', '_jarvis_slme'}

  
  ❌ https://jarvis.nist.gov/optimade/jarvisdft/v1/structures?filter=%229957%22%20!=%20id
  
  

  ResponseError: Query id != "9957" did not work both ways around: "9957" != id, returning a different number of results each time (as reported by `meta->data_returned`)

  
  ❌ https://jarvis.nist.gov/optimade/jarvisdft/v1/structures?filter=3%20!=%20nelements
  
  

  ResponseError: Query nelements != 3 did not work both ways around: 3 != nelements, returning a different number of results each time (as reported by `meta->data_returned`)

  
  ❌ https://jarvis.nist.gov/optimade/jarvisdft/v1/structures?filter=14%20!=%20nsites
  
  

  ResponseError: Query nsites != 14 did not work both ways around: 14 != nsites, returning a different number of results each time (as reported by `meta->data_returned`)

  
  ❌ https://jarvis.nist.gov/optimade/jarvisdft/v1/structures?filter=_crazyprovider_field=2
  
  

  ValidationError: 3 validation errors for ValidatorStructureResponseMany
  data.0.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['Ta', 'O', 'Nd'] [type=value_error, input_value=['Ta', 'O', 'Nd'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.7/v/value_error
  data.2.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['P', 'F', 'H'] [type=value_error, input_value=['P', 'F', 'H'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.7/v/value_error
  data.3.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['Sn', 'O', 'Li', 'Cr'] [type=value_error, input_value=['Sn', 'O', 'Li', 'Cr'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.7/v/value_error