We utilize similar split possibilities as for the defect dataset (see Table ), except we do not automatically assign binary compounds to the training set (i.e., here we use only T = None) and an additional data fraction (D = 0.05) which leads to a total of 3,271 unique splits. As discussed in the previous section and Figure for the defect dataset, Figure (a) and (b) show density parity plots of all outer test set (D = 1.0) predictions for C K = {Random, Structure, Composition, Chemsys, SG#, Elements} for non-nested S = K-fold and nested S = (K, L)-fold, respectively.