Fig. 1 | npj Computational Materials

Fig. 1

From: Identifying Pb-free perovskites for solar cells by machine learning

Fig. 1

a Crystal structure of double perovskite with A, B1+, B3+, and X-sites denoted by light blue, blue, red, and gray spheres, respectively. b Structural deformation by tilting of octahedral unit presents. c List of chemical elements considered in a dataset of halide double perovskites. Distribution of calculated d heat of formation (∆HF) and e bandgap (Eg). In each panel, average values are depicted as a white point

Back to article page