Fig. 3: Performance of EATGNN on various piezoelectric properties and the distribution of dataset.
From: Accurate piezoelectric tensor prediction with equivariant attention tensor graph neural network
a Histogram of the distribution of \({|{e}_{{ij}}|}_{\max }\) for bulk materials. b Heatmap of the MAE of the piezoelectric tensors for bulk materials in unit of \({\rm{C}}/{{\rm{m}}}^{2}\). c Histogram of the distribution of \({|{e}_{{ij}}|}_{\max }\) for 2D materials. d Regression plot of the maximum piezoelectric component in 2D materials. e Regression plot of the maximum longitudinal piezoelectric component in 2D materials. f The maximum piezoelectric component of MoS2 under various rotations of the coordinate system, the coincidence of the solid and dashed lines indicates that EATGNN satisfies equivariance. The green curve represents the maximum piezoelectric components of the initial output piezoelectric tensor at various rotation angles, while the yellow stars denote the maximum piezoelectric components output by EATGNN at each angle.
