Table 2. List of Descriptors Considered in the Present Study.
| elemental information | crystal structure information |
|---|---|
| atomic number Z | lattice volume V |
| atomic mass m | lattice constant a, b, c |
| electronegativity EN | angle formed by basic vector α, β, γ |
| covalent radius CR | substituted positions of X1 and X2x, y, z |
| first-ionization energy IE | |
| maximum oxidation state O | |
| coefficient of van der Waals C6 |