v3
latestOpenAPI 3.1.02026-07-3137169523.4 KBGet MoleculesDoc documents
Query parameters
Maximum value for the number of elements.
Maximum value for the number of elements.
Minimum value for the number of elements.
Minimum value for the number of elements.
Maximum value for the electron affinity in eV.
Maximum value for the electron affinity in eV.
Minimum value for the electron affinity in eV.
Minimum value for the electron affinity in eV.
Maximum value for the ionization energy in eV.
Maximum value for the ionization energy in eV.
Minimum value for the ionization energy in eV.
Minimum value for the ionization energy in eV.
Maximum value for the charge in +e.
Maximum value for the charge in +e.
Minimum value for the charge in +e.
Minimum value for the charge in +e.
Point of the molecule in Schoenflies notation.
Point of the molecule in Schoenflies notation.
The simplified molecular input line-entry system (SMILES) representation of the molecule.
The simplified molecular input line-entry system (SMILES) representation of the molecule.
Query by elements in the material composition as a comma-separated list
Query by elements in the material composition as a comma-separated list
Chemical formula of the molecule. A comma-separated list of formulas is also accepted.
Chemical formula of the molecule. A comma-separated list of formulas is also accepted.
Comma-separated list of task_ids to query on
Comma-separated list of task_ids to query on
Page number to request (takes precedent over _limit and _skip).
Page number to request (takes precedent over _limit and _skip).
Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000.
Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000.
Number of entries to skip in the search.
Number of entries to skip in the search.
Max number of entries to return in a single query. Limited to 1000.
Max number of entries to return in a single query. Limited to 1000.
Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order.
Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order.
Fields to project from MoleculesDoc as a list of comma separated strings. Fields include: elements nelements EA IE charge pointgroup smiles task_id molecule formula_pretty svg
Fields to project from MoleculesDoc as a list of comma separated strings. Fields include: elements nelements EA IE charge pointgroup smiles task_id molecule formula_pretty svg
Include all fields.
Include all fields.
Response
Search for a MoleculesDoc