As seen in Figures and, there is poorer average performance for Mn, and Cu -largely owing to difficulties in classifying fourfold coordinated spectra for each case, and for Cr and Co, classifying fivefold coordinated spectra. This may be due to a lack of distinguishing features for those elements, as it was shown for Cr and Co in classifying five-and six-fold coordinated structures (see subplots in Figure of Ref. ). Despite the dataset class imbalances, however, we note that the overall performance of the coordination accuracy is clustered around an accuracy of 80-88% for every element, providing sufficient basis for interpreting feature importance.