fig9
Figure 9. (A) Schematic structure of OOHs and the procedure of prediction and screening. Copyright 2019, American Chemical Society, Reproduced with permission[144]; (B) The composition and structure of AA′BB′X3X3′ perovskites in the prediction set and the multi-step screening process of discovering novel AA′BB′X3X3′ perovskites according to the combination of ML and DFT calculation for PV application. Copyright 2023, Royal Society of Chemistry, Reproduced with permission[145]. OOHs: Octahedral oxyhalides; ML: machine learning; DFT: density functional theory; PV: photovoltaic.
