OPTIMADE provider "Theoretical Crystallography Open Database" (id: tcod)
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General information
Short description: Open-access collection of theoretically calculated or refined crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers
Project homepage: https://www.crystallography.net/tcod
Index Meta-Database URL:
https://providers.optimade.org/index-metadbs/tcod
Number of structures: 7,452
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
-
Theoretical Crystallography Open Database (
tcod, default sub-database)https://www.crystallography.net/tcod/optimade
Open-access collection of theoretically calculated or refined crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymersValidationResults of validation Passed 61 / 65
❌ https://www.crystallography.net/tcod/optimade/v1/structures?filter=chemical_formula_anonymous%20%3E%20%22A3BC%22
ResponseError: Unable to perform mandatory query 'chemical_formula_anonymous > "A3BC"', which raised the error: Request to 'structures?filter=chemical_formula_anonymous > "A3BC"' returned HTTP status code 501.
Additional details from implementation:
501 Not Implemented: queries are not supported for 'chemical_formula_anonymous' (N/A)
❌ https://www.crystallography.net/tcod/optimade/v1/structures?filter=chemical_formula_descriptive%20%3C%20%22CuNbO3%22
ResponseError: Entry 10000032 with value 'chemical_formula_descriptive': CuNbO3 was not excluded by 'chemical_formula_descriptive < "CuNbO3"'
❌ https://www.crystallography.net/tcod/optimade/v1/structures?filter=chemical_formula_reduced%20%3E%20%22CuNbO3%22
ResponseError: Unable to perform mandatory query 'chemical_formula_reduced > "CuNbO3"', which raised the error: Request to 'structures?filter=chemical_formula_reduced > "CuNbO3"' returned HTTP status code 501.
Additional details from implementation:
501 Not Implemented: queries are not supported for 'chemical_formula_reduced' (N/A)
❌ https://www.crystallography.net/tcod/optimade/v1/;%20testing%20queries%20for%20structures-%3Estructure_features
ResponseError: Chosen entry had no value for 'structure_features' with support level SupportLevel.MUST and queryability SupportLevel.MUST, so cannot construct test queries. This field should potentially be removed from the `/info/structures` endpoint response.