fig3
From: High-throughput screening of phosphide compounds for potassium-ion conductive cathode application
Figure 3. Crystal structures of K4CdP2, illustrating the 3D potassium ionic migration map (left) from the GT approach and the 2D migration map (right) derived from BVSE calculations. The relevant regions of the migration maps are highlighted in green. The elementary channels that are inaccessible to K+ migration due to surrounding Cd2+ cations are highlighted in red. 3D: Three-dimensional; GT: geometrical-topological; 2D: two-dimensional; BVSE: bond valence site energy.
