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Figure 6
Distribution of substituted materials in space with the x axis showing the KRR-predicted formation energy, EfKRR, with non-optimized structures and the y axis showing the extracted strongly relevant descriptor (s2, s2). The black dotted line shows the limitation of (s2, s2), which maximizes the separation between two mixture distributions.

IUCrJ
Volume 7| Part 6| November 2020| Pages 1036-1047
ISSN: 2052-2525
https://doi.org/10.1107/S2052252520010088