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. 2020 Feb 13;5(7):3596–3606. doi: 10.1021/acsomega.9b04012

Table 3. Performance of RF for Predicting Crystal Systems by Over-Sampling.

crystal system Magpie (F1-score/MCC) atom vector (F1-score/MCC) atom frequency(F1-score/MCC)
Cubic 0.846/0.693 0.779/0.557 0.777/0.556
Hexagonal 0.808/0.622 0.714/0.428 0.674/0.361
Monoclinic 0.750/0.500 0.707/0.418 0.725/0.450
orthorhombic 0.739/0.485 0.667/0.336 0.698/0.405
Tetragonal 0.803/0.613 0.720/0.441 0.695/0.409
Triclinic 0.714/0.429 0.690/0.383 0.707/0.419
Trigonal 0.742/0.494 0.680/0.360 0.693/0.402