Table 2. A comparison between experimental and predicted irreps to independently validate the classification models.
RP oxides | Experimental irrep | Predicted irrep | Prediction accuracy (in %) |
---|---|---|---|
CaSrRuO4 (ref. 74) | P4 | P4 | 60 |
LaSrFeO4 (ref. 75) | φ | φ | 100 |
LaSrCoO4 (ref. 76) | φ | φ | 100 |
NdSrCoO4 (ref. 76) | φ | φ | 100 |
GdSrCoO4 (ref. 76) | φ | φ | 100 |
LaSrCrO4 (ref. 77) | φ | φ | 100 |
YCaCrO4 (ref. 77 | (η0,η1) | (η0,η1) | 80 |
YSrCrO4 (ref. 77) | (η1,η2) | φ | 0 |
SmCaCrO4 (ref. 78) | (η0,η1) | (η0,η1) | 100 |
LaCaFeO4 (ref. 79) | (η0,η1) | (η0,η1) | 80 |
Ca2CrO4 (ref. 80) | P4 | P4 and (η0,η1) | 40 |
NaDyTiO4 (ref. 16) | (η1,η1) | (η1,η1) | 100 |
NaSmTiO4 (ref. 16) | (η1,η1) | (η1,η1) | 100 |
NaHoTiO4 (ref. 16) | (η1,η1) | (η1,η1) | 100 |
Prediction accuracy (in %) is the ratio of the number of trees that correctly predicted the irrep label to the total number of trees (=5) used for prediction. All experimentally reported compounds have disordered A-site arrangement. In Ca2CrO4, our classifier predicts with 40% confidence that both P4 and (η0,η1) labels are equally likely and experimentally, P4 is observed.