Fig. 2 | Nature Communications

Fig. 2

From: Unsupervised discovery of solid-state lithium ion conductors

Fig. 2

Unsupervised clustering of all Li-containing compounds. a Bottom-up tree diagram (dendrogram) generated using the agglomerative hierarchical clustering method. The dashed line shows the position where all compounds are partitioned into seven groups, marked as I–VII from left to right and distinguished by different colors. b Mapping the dendrogram to the conductivity reveals the grouping of known solid-state Li-ion conductors in group V and VI. The color bar shows the scale of σRT. The gray color indicates the conductivity has not been measured for the corresponding compound. c Violin plots of σRT data grouped in the grouping. The outer shells of the violins bound all data, narrow horizontal lines bound 95% of the data, thick horizontal lines bound 50% of the data, and white dots represent medians. The dashed line shows the position of σRT = 10–4 S cm−1. d mXRD of all materials in group I–VI and a part of group VII. The colored boxes mark the positions of main characteristic peaks for each group. e Crystal structures (left) and (right) Li sites (green sphere) determined by local anion (yellow/red sphere) configuration, corresponding to isosurfaces (green) of Li probability density from AIMD simulations. Li2S (top) with highly symmetric anion lattice and ordered Li sublattice versus LGPS (middle) and LLZO (bottom) SSLCs with distorted anion lattices and disordered Li sublattices

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