Figure 4 | Scientific Reports

Figure 4

From: High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory

Figure 4

The calculated lattice constants a, b and c for the most stable structure of each doping case obtained by DFT simulations.

The x-axis is labelled with the name of the element doped at P sites. The data represented by black squares and red circles are for the no doping at S sites and the O doping at S sites, respectively. The ionic radius of M ions are shown in bottom panel for comparison.

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