Table 1 Features used for discovery of domain of applicability (DA) selectors.
From: Identifying domains of applicability of machine learning models for materials science
Type | Label | Definition | Unit |
|---|---|---|---|
a, b, c | Lattice-vector lengths sorted from largest (a) to smallest (c) | Å | |
α | Angle between b and c | ∘ | |
Unit cell | β | Angle between a and c | ∘ |
γ | Angle between a and b | ∘ | |
V/N | Volume of unit cell divided by number of atoms | Å3 | |
N | Number of atoms | – | |
Composition | %Al, %Ga, %In | Number of cations divided by total number of cations | % |
Structural | R{Al,Ga,In}-{Al,Ga,In,O} | Average nearest-neighbor distance between Al, Ga, In, and O | Å |
