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. 2017 Dec 12;9(5):1289–1300. doi: 10.1039/c7sc04665k

Fig. 4. Sketch-map representations of the 5A crystal structure landscape. The atomic configurations are color-coded according to their relative lattice energy (bottom right), class following the heuristic classification (top right) and cluster index (gray structure do not belong to a cluster) found using HDBSCAN* on the similarity matrix (left). The structural pattern of each cluster is illustrated with a top and long side (yellow cluster) view of the 5A polymorphs.

Fig. 4