TransportData

pydantic model atomate2.amset.schemas.TransportData

Definition of AMSET transport data model.

field doping: List[float] = None

Carrier concentrations in cm^-3

field temperatures: List[float] = None

Temperatures in K

field fermi_levels: List[List[float]] = None

Fermi level positions in eV, given as (ndoping, ntemps)

field conductivity: List[List[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]] = None

Conductivity tensor in S/m, given as (ndoping, ntemps, 3, 3)

field seebeck: List[List[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]] = None

Seebeck tensor in µV/K, given as (ndoping, ntemps, 3, 3)

field electronic_thermal_conductivity: List[List[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]] = None

Electronic thermal conductivity tensor in W/mK, given as (ndoping, ntemps, 3, 3)

field mobility: Dict[str, List[List[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]]] = None

Carrier mobility tensor in cm^2/Vs, given as {scattering_type: (ndoping, ntemps, 3, 3)}