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.

  Properties served by this database:

  By entry type (click to expand):
  • structures

    • The full list of standard OPTIMADE properties.
    • _jarvis_reference

      Description: A URL for the reference for the source structure.
      Type: string
      
    • _jarvis_source

      Description: The source database of the structure.
      Type: string
      

  Validation

  ValidationResults of validation Passed 27 / 33

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

  ValidationError: 2 validation errors for ValidatorStructureResponseMany
  data.1.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['C', 'Si', 'Re', 'Tm'] [type=value_error, input_value=['C', 'Si', 'Re', 'Tm'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.8/v/value_error
  data.3.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['Ba', 'F', 'Be'] [type=value_error, input_value=['Ba', 'F', 'Be'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.8/v/value_error

  
  ❌ https://jarvis.nist.gov/optimade/jarvisdft/v1/structures?response_fields=id,nelements,type&page_limit=1
  
  

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

  
  ❌ https://jarvis.nist.gov/optimade/jarvisdft/v1/structures?filter=%22109321%22%20=%20id
  
  

  ResponseError: Query id = "109321" did not work both ways around: "109321" = id, returning a different number of results each time (as reported by `meta->data_returned`)

  
  ❌ https://jarvis.nist.gov/optimade/jarvisdft/v1/structures?filter=4%20%3C=%20nelements
  
  

  ResponseError: Query nelements >= 4 did not work both ways around: 4 <= nelements, returning a different number of results each time (as reported by `meta->data_returned`)

  
  ❌ https://jarvis.nist.gov/optimade/jarvisdft/v1/structures?filter=10%20%3C=%20nsites
  
  

  ResponseError: Query nsites >= 10 did not work both ways around: 10 <= 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: 4 validation errors for ValidatorStructureResponseMany
  data.0.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['Cu', 'Ba', 'Sc', 'Se'] [type=value_error, input_value=['Cu', 'Ba', 'Sc', 'Se'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.8/v/value_error
  data.1.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['Ta', 'N'] [type=value_error, input_value=['Ta', 'N'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.8/v/value_error
  data.2.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['In', 'Sb', 'Ga'] [type=value_error, input_value=['In', 'Sb', 'Ga'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.8/v/value_error
  data.3.attributes.elements
  Value error, elements must be sorted alphabetically, but is: ['Th', 'Pr'] [type=value_error, input_value=['Th', 'Pr'], input_type=list]
  For further information visit https://errors.pydantic.dev/2.8/v/value_error