Table 1 The SA-GAT-SR model initial features for predicting ABO3 materials containing A site, B site, X site, and global characteristics
A site | B site | X site | Global | |||||
|---|---|---|---|---|---|---|---|---|
Meaning | Symbol | Unit1 | Symbol | Unit1 | Symbol | Unit1 | Symbol | Unit1 |
pauli electronegativity | Aen | eV | Ben | eV | Xen | eV | - | - |
electron affinity | Aea | eV | Bea | eV | Xea | eV | - | - |
first ionization energy | Aie1 | eV | Bie1 | eV | Xie1 | eV | - | - |
atomic mass | Aam | amu | Bam | amu | Xam | amu | - | - |
atomic radius | Aar | Å | Bar | Å | Xar | Å | - | - |
average ionic radius | Air | Å | Bir | Å | Xir | Å | - | - |
oxidation numbers | AQ | - | BQ | - | XQ | - | - | - |
crystal density | - | - | - | - | - | - | Gd | g/cm3 |
crystal volume | - | - | - | - | - | - | Gv | Å3 |
lattice vector2 | - | - | - | - | - | - | Gl | Å |
tolerance factor | - | - | - | - | - | - | Gt | - |
octahedral factor | - | - | - | - | - | - | Gμ | - |
ratio factor | - | - | - | - | - | - | Gμ/t | - |
lattice distortion | - | - | - | - | - | - | Gdis | - |