Table 3. Prediction Performance of MLatticeABC in Terms of R2 Score for α, β, and γ over Monoclinic and Triclinic.
crystal system | train set size | test set size | α | β | γ |
---|---|---|---|---|---|
monoclinic | 23,897 | 5975 | 0.388 ± 0.006 | ||
triclinic | 12,237 | 3060 | 0.187 ± 0.012 | 0.188 ± 0.011 | 0.087 ± 0.010 |