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. 2021 Apr 20;6(17):11585–11594. doi: 10.1021/acsomega.1c00781

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