--- title: "Get MoleculeSummaryDoc documents" method: GET path: "/molecules/summary/" tags: ["Molecules Summary"] --- # Get MoleculeSummaryDoc documents `GET /molecules/summary/` ## Query parameters - `molecule_ids` string, nullable — Comma-separated list of molecule_ids to query on - `formula` string, nullable — Query by alphabetical formula. A comma delimited string list of alphabetical formulas can also be provided. - `chemsys` string, nullable — A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - `elements` string, nullable — Query by elements in the material composition as a comma-separated list - `exclude_elements` string, nullable — Query by excluded elements in the material composition as a comma-separated list - `has_props` string, nullable — Comma-delimited list of possible properties given by HasPropsEnum to search for. - `charge` integer, nullable — Query by molecular charge - `spin_multiplicity` integer, nullable — Query by molecular spin multiplicity. - `inchi` string, nullable — International chemical identifier (InChI) string for this molecule - `inchi_key` string, nullable — Hash of the InChI, also known as the InChI-key - `species_hash` string, nullable — Graph hash augmented with node species - `coord_hash` string, nullable — Graph hash augmented with node XYZ coordinates - `_page` integer — Page number to request (takes precedent over _limit and _skip). - `_per_page` integer — Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - `_skip` integer — Number of entries to skip in the search. - `_limit` integer — Max number of entries to return in a single query. Limited to 1000. - `nelements_max` integer, nullable — Query for maximum value of nelements - `nelements_min` integer, nullable — Query for minimum value of nelements - `nelements` integer, nullable — Query for nelements being equal to an exact value - `nelements_not_eq` integer, nullable — Query for nelements being not equal to an exact value - `nelements_eq_any` string — Query for nelements being any of these values. Provide a comma separated list. - `nelements_neq_any` string — Query for nelements being not any of these values. Provide a comma separated list. - `_sort_fields` string, nullable — Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. - `_fields` string — Fields to project from MoleculeSummaryDoc as a list of comma separated strings. Fields include: `charge` `spin_multiplicity` `natoms` `elements` `nelements` `nelectrons` `composition` `composition_reduced` `formula_alphabetical` `formula_pretty` `formula_anonymous` `chemsys` `symmetry` `species_hash` `coord_hash` `property_name` `property_id` `molecule_id` `deprecated` `deprecation_reasons` `level_of_theory` `solvent` `lot_solvent` `last_updated` `origins` `warnings` `molecules` `molecule_levels_of_theory` `inchi` `inchi_key` `task_ids` `similar_molecules` `constituent_molecules` `unique_calc_types` `unique_task_types` `unique_levels_of_theory` `unique_solvents` `unique_lot_solvents` `thermo` `vibration` `orbitals` `partial_charges` `partial_spins` `bonding` `multipole_moments` `redox` `metal_binding` `has_props` - `_all_fields` boolean — Include all fields. ## Response `200` Search for a MoleculeSummaryDoc - ResponseMoleculeSummaryDoc - `data` MoleculeSummaryDoc[], nullable — List of returned data - `charge` integer, nullable — Charge of the molecule - `spin_multiplicity` integer, nullable — Spin multiplicity of the molecule - `natoms` integer, nullable — Total number of atoms in the molecule - `elements` string[], nullable — List of elements in the molecule - `nelements` integer, nullable - `nelectrons` integer, nullable — The total number of electrons for the molecule - `composition` object, nullable — Full composition for the molecule - `composition_reduced` object, nullable — Simplified representation of the composition - `formula_alphabetical` string, nullable — Alphabetical molecular formula - `formula_pretty` string, nullable — Cleaned representation of the formula. - `formula_anonymous` string, nullable — Anonymized representation of the formula - `chemsys` string, nullable — dash-delimited string of elements in the molecule - `symmetry` PointGroupData — Defines symmetry for a molecule document - `point_group` string, nullable — The point group for the lattice - `rotation_number` integer, nullable — Rotational symmetry number for the molecule - `linear` boolean, nullable — Is the molecule linear? - `tolerance` number, nullable — Distance tolerance to consider sites as symmetrically equivalent. - `eigen_tolerance` number, nullable — Tolerance to compare eigen values of the inertia tensor. - `matrix_tolerance` number, nullable — Tolerance used to generate the full set of symmetry operations of the point group. - `species_hash` string, nullable — Weisfeiler Lehman (WL) graph hash using the atom species as the graph node attribute. - `coord_hash` string, nullable — Weisfeiler Lehman (WL) graph hash using the atom coordinates as the graph node attribute. - `property_name` string - `property_id` string, required — The unique identifier of this property document. - `molecule_id` string, required — The ID of the molecule, used as a reference across property documents.This comes in the form of an MPculeID (or appropriately formatted string) - `deprecated` boolean, required — Whether this property document is deprecated. - `deprecation_reasons` string[], nullable — List of deprecation tags detailing why this document isn't valid - `level_of_theory` string, nullable — Level of theory used to generate this property document. - `solvent` string, nullable — String representation of the solvent environment used to generate this property document. - `lot_solvent` string, nullable — String representation of the level of theory and solvent environment used to generate this property document. - `last_updated` string, date-time — Timestamp for the most recent calculation update for this property - `origins` MolPropertyOrigin[] — Dictionary for tracking the provenance of properties - `name` string, required — The property name - `task_id` union, required — The calculation ID this property comes from. - string - string - `last_updated` string, date-time — The timestamp when this calculation was last updated - `warnings` string[] — Any warnings related to this property - `molecules` object, required — The lowest energy optimized structures for this molecule for each solvent. - `molecule_levels_of_theory` object, nullable — Level of theory used to optimize the best molecular structure for each solvent. - `inchi` string, nullable — International Chemical Identifier (InChI) for this molecule - `inchi_key` string, nullable — Standardized hash of the InChI for this molecule - `task_ids` string[] — List of Calculation IDs associated with this molecule. - `similar_molecules` string[] — IDs associated with similar molecules - `constituent_molecules` string[] — IDs of associated MoleculeDocs used to construct this molecule. - `unique_calc_types` string[], nullable — Collection of all unique calculation types used for this molecule - `unique_task_types` string[], nullable — Collection of all unique task types used for this molecule - `unique_levels_of_theory` string[], nullable — Collection of all unique levels of theory used for this molecule - `unique_solvents` string[], nullable — Collection of all unique solvents (solvent parameters) used for this molecule - `unique_lot_solvents` string[], nullable — Collection of all unique combinations of level of theory and solvent used for this molecule - `thermo` object, nullable — A summary of thermodynamic data available for this molecule, organized by solvent - `vibration` object, nullable — A summary of the vibrational data available for this molecule, organized by solvent - `orbitals` object, nullable — A summary of the orbital (NBO) data available for this molecule, organized by solvent - `partial_charges` object, nullable — A summary of the partial charge data available for this molecule, organized by solvent and by method - `partial_spins` object, nullable — A summary of the partial spin data available for this molecule, organized by solvent and by method - `bonding` object, nullable — A summary of the bonding data available for this molecule, organized by solvent and by method - `multipole_moments` object, nullable — A summary of the electric multipole data available for this molecule, organized by solvent - `redox` object, nullable — A summary of the redox data available for this molecule, organized by solvent - `metal_binding` object, nullable — A summary of the metal binding data available for this molecule, organized by solvent and by method - `has_props` object, nullable — Properties available for this molecule - `errors` Error[], nullable — Any errors on processing this query - `code` integer, required — The error code - `message` string, required — The description of the error - `meta` Meta — Meta information for the MAPI Response. - `api_version` string — A string containing the version of the Materials API implementation, e.g. v0.9.5 - `time_stamp` string, date-time — A string containing the date and time at which the query was executed - `total_doc` integer, nullable — The total number of documents available for this query - `facet` object, nullable — A dictionary containing the facets available for this query ## Other responses - `422` — Validation Error ## Changes - **2026-08-20** `70f72d0670df` — 1 info - the `api_version` response's property default value changed from `0.87.2.dev19+g3f2daf4f8` to `0.87.3.dev3+gfbe8656b6` for the status `200` - **2026-07-31** `54f2f79ab4f8` — 1 info - the `api_version` response's property default value changed from `0.87.2.dev13+g62063a867` to `0.87.2.dev19+g3f2daf4f8` for the status `200` - **2026-07-26** `9aac4fdf4081` — 1 info - the `api_version` response's property default value changed from `0.87.2.dev4+g6bd8ed856` to `0.87.2.dev13+g62063a867` for the status `200` [Change history](https://skmtc.dev/materialsproject/apis/materials-project-api/changes/molecules/summary/get.md) --- [API](https://skmtc.dev/materialsproject/apis/materials-project-api.md) · [All operations](https://skmtc.dev/materialsproject/apis/materials-project-api/llms.txt) · [OpenAPI document](https://skmtc-service-production.skmtc.workers.dev/v1/apis/materialsproject/materials-project-api/revisions/70f72d0670df/schema)