Table 3. Comparison of DFT Calculations Performed on Our 76 Material Candidates by Structural Type^a.

type	no. candidates	|δbonds| (%)	|ΔEf| (eV/atom)	|δcell| (%)
perovskites	30	5.23	0.57	0
Heusler	22	1.44	3.34	0
binaries	24	10.88	2.65	0

^aThe geometry-optimized DFT results were compared against their cognate VAE-generated crystal structures. Results are analyzed in terms of difference in the absolute in formation energy, |ΔE_f|, mean absolute percentage change in bond lengths, |Δbonds|, and unit-cell parameters, |Δcell|.