Fig. 2 | Nature Communications

Fig. 2

From: Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning

Fig. 2

HOIPs input dataset for training and testing. a 212 high throughput HOIP structures. The combination of 11 small organic molecular species (A-site) and 32 divalent metals (B-site) constitutes the input samples of our ML model. X is a typical halide. b Data visualization in training (blue dots) and test (red dots) of tolerance factor and bandgap \(E_{\mathrm{g}}^{\mathrm{PBE}}\) of HOIPs. The entire dataset consists of metals, semiconductors, and insulators