Fig. 2: Synthesizability vs DFT stability for previous half-Heusler models.
From: Machine learned synthesizability predictions aided by density functional theory
Comparisons of Ehull from the OQMD and synthesizability for synthesizable half-Heuslers as determined by (a) Gzyl et al.’s45 and (b) Legrain et al.’s46 models. Both models are not informed of DFT stability and predict many unstable half-Heuslers to be synthesizable. The dashed red line depicts the median Ehull (73 meV/atom) of all unstable half-Heuslers experimentally reported in the ICSD as calculated in the OQMD.
