Fig. 9. Results and insights from the ML model. (a) The fitting results of the test bandgaps EPBEg and predicted bandgaps EMLg. (b) Scatter plots of tolerance factors against the bandgaps for the prediction dataset from the trained ML model (the blue, red and dark gray plots represent the training, testing and prediction sets, respectively). Data visualization of predicted bandgaps for all possible HOIPs (each color represents a class of halogen perovskites) with the (c) tolerance factor, (d) octahedral factor, (e) ionic polarizability for the A-site ions, and (f) electronegativity of the B-site ions. The dotted boxes represent the most appropriate range for each feature.28.
