RedoxComposite

class emmet.core.molecules.summary.RedoxComposite(**data)

Bases: BaseModel

Summary information obtained from RedoxDocs

Parameters:

• property_id (str | None)

• level_of_theory (str | None)

• electron_affinity (float | None)

• ea_task_id (MPID | None)

• ionization_energy (float | None)

• ie_task_id (MPID | None)

• reduction_free_energy (float | None)

• red_molecule_id (MPculeID | None)

• oxidation_free_energy (float | None)

• ox_molecule_id (MPculeID | None)

• reduction_potential (float | None)

• oxidation_potential (float | None)

model_config: ClassVar[ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].