Fig. 7: Visualization of relationship between structure and formation energy obtained from SCANN model for crystalline magnetic materials in SmFe12-CD.
From: Towards understanding structure–property relations in materials with interpretable deep learning
a Visualization of the GA scores estimated by the model for atomic sites in the SmFe12, SmFe11Mo, SmFe11Co, and SmFe11Al crystal structures. b Correlation between the ratio of GA scores of the substitution sites to the minimum GA scores among the Fe sites and the formation energy, as calculated via the DFT approach, in crystal structures substituted by a single type of element.
