Fig. 3 | Nature Communications

Fig. 3

From: Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry

Fig. 3

Benchmarking descriptor against ab initio methods. a Comparing the SISSO-learned descriptor to QHA for 131 compounds not in the experimental dataset used to train or test the descriptor. b Distribution of residuals shown in a. c Comparing QHA to experiment for 37 compounds which appear in both FactSage and PhononDB. d Distribution of residuals shown in c. e Comparing the SISSO-learned descriptor to experiment of these same 37 compounds shown in c. f Distribution of residuals shown in e. The annotation within each figure is provided in the Fig. 2 caption

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