Using D-CGCNN, we predicted formation energies of 15,318 unrelaxed materials generated during the catalyst discovery research for 2e-ORR. The metrics used to identify stable materials was formation energy (E f ML ) predicted by D-CGCNN, and the corresponding energy above hull (E hull ML ). The E hull ML was calculated using predicted E f ML and a convex hull consisting of all solid materials in MP database using Pymatgen . Conventionally, the convex hull needs to be re-plotted to keep the minimum value of 0.0 eV/atom above the hull when new materials show lower hull energy than the existing materials. In this work, however, we used the original MP-based convex hull plots to estimate thermodynamic stability of new materials, thus negative hull energy indicates higher stability than the most stable solid in MP. Thresholds were set to E f ML ≤ 0.00 eV/atom and E hull ML ≤ 0.10 eV/atom We note that detailed HTVS procedure and 2e-ORR catalytic properties of these candidates will be reported separately.