Table 3 The set of Matminer featurizers to generate the numerical descriptors in MODNet
From: Machine learning on multiple topological materials datasets
Composition | Structure | Site |
|---|---|---|
AtomicOrbitals | BondFractions | AGNIFingerprints |
AtomicPackingEfficiency | ChemicalOrdering | AverageBondAngle |
BandCenter | CoulombMatrix | AverageBondLength |
ElectronegativityDiff | DensityFeatures | BondOrientationalParameter |
ElementFraction | EwaldEnergy | ChemEnvSiteFingerprint |
ElementProperty | GlobalSymmetryFeatures | CoordinationNumber |
(“magpie” preset) | ||
IonProperty | MaximumPackingEfficiency | CrystalNNFingerprint |
Miedema | RadialDistributionFunction | GaussianSymmFunc |
OxidationStates | SineCoulombMatrix | GeneralizedRadialDistributionFunction |
Stoichiometry | StructuralHeterogeneity | LocalPropertyDifference |
TMetalFraction | XRDPowderPattern | OPSiteFingerprint |
ValenceOrbital | VoronoiFingerprint | |
YangSolidSolution |
