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Figure 4
Comparison of formation energies calculated using DFT and those predicted through ML using the KRR model with the OFM descriptor. The blue and red solid circles represent the cross-validated results for [{\cal D}_{{\rm {LA-T-X}}}^{{host}}] and the prediction results for [{\cal D}_{{\rm {Nd-Fe-B}}}^{{subst}}], respectively.

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