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 |