Fig. 5: Symmetry analysis and transitions. | npj Computational Materials

Fig. 5: Symmetry analysis and transitions.

From: A high-throughput framework and database for twisted 2D van der Waals bilayers

Fig. 5

Symmetry analysis of the generated mono- and bilayers. Percentage distribution of space groups in monolayers (blue bars) and bilayers (orange bars) for systems containing up to 30 atoms (a) and up to 100 atoms (b), respectively. Heatmap diagrams illustrating the frequency (in percent) of relevant symmetry transitions between the space group pair of the constituent monolayers (x-axis) and the resulting bilayer space group (y-axis). Bilayers are categorized by up to 30 atoms (c) and up to 100 atoms (d). Space groups lacking inversion symmetry are highlighted in red on the x-axis.

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