Fig. 1: Crystal structure and superionic transition of AgCrSe2. | npj Computational Materials

Fig. 1: Crystal structure and superionic transition of AgCrSe2.

From: Highly selective phonon diffusive scattering in superionic layered AgCrSe2

Fig. 1

a The high-temperature crystal structure of AgCrSe2 (\(R\overline{3}m\) space group), which is visualized by VESTA31. The Ag atoms (indicated with half shadowed silver spheres) are equally distributed in two tetrahedral sites between CrSe6 layers. b The RMSD of Ag at different temperatures. c The RMSD of Ag, Cr and Se at 500 K. The inset shows the amplified RMSD of Cr and Se atoms.

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