Fig. 2: Analysis of the training dataset.
From: Machine learning-enabled chemical space exploration of all-inorganic perovskites for photovoltaics
a Decomposition enthalpy (∆Hdecomp) distribution of 3159 density functional theory (DFT)-calculated data with respect to the number of unique elements in the B-site before (blue) and after (orange) including the mixing entropy term (at T = 298 K), respectively. b Difference in distribution of the decomposition energy with the existence of Ge element in the training dataset. Dashed lines indicate the mean value of each decomposition energy distribution.
