fig2

High-throughput screening of phosphide compounds for potassium-ion conductive cathode application

Figure 2. The crystal structures of K3InP2, showing the 3D potassium ionic migration map from GT approach (left) and BVSE calculation (right). Hereafter ZA designates centers of elementary voids in the GT analysis. 3D: Three-dimensional; GT: geometrical-topological; BVSE: bond valence site energy.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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