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. 2017 Feb 17;8:14282. doi: 10.1038/ncomms14282

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 Inline graphic(η0,η1) Inline graphic(η0,η1) 80
YSrCrO4 (ref. 77) Inline graphic(η1,η2) φ 0
SmCaCrO4 (ref. 78) Inline graphic(η0,η1) Inline graphic(η0,η1) 100
LaCaFeO4 (ref. 79) Inline graphic(η0,η1) Inline graphic(η0,η1) 80
Ca2CrO4 (ref. 80) P4 P4 and Inline graphic(η0,η1) 40
NaDyTiO4 (ref. 16) Inline graphic(η1,η1) Inline graphic(η1,η1) 100
NaSmTiO4 (ref. 16) Inline graphic(η1,η1) Inline graphic(η1,η1) 100
NaHoTiO4 (ref. 16) Inline graphic(η1,η1) Inline graphic(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 Inline graphic(η0,η1) labels are equally likely and experimentally, P4 is observed.