Fig. 9 | Scientific Data

Fig. 9

From: High-throughput screening platform for solid electrolytes combining hierarchical ion-transport prediction algorithms

Fig. 9

Migration paths in (a) NaZr2P3O12 and (b) tetragonal LLZO. The paths calculated using NEB and CAVD + BVSE are colored in pink and white, respectively. The tetrahedral PO4 and octahedral ZrO6 sites are colored gray and green, respectively. The octahedral Na1 and Li2 sites are shown in yellow and blue polyhedra respectively, and tetrahedral Li3 sites in LLZO are shown in purple.

Back to article page