OPTIMADE provider "open database of xtals" (id: odbx
)
< back to the full provider list
General information
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
Detailed information
/info
)State of the /info
endpoint of the index meta-database
found
found
Index metaDB versionVersion of the index meta-database
v1
Index metaDB (/links
)State of the /links
endpoint of the index meta-database
found
found
Databases served by this provider
-
odbx (
odbx, default sub-database
)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.