In addition to the surface reactivity, the synthesizability, and stability of a catalyst during the operation are crucial design criteria in heterogeneous catalysis. Indeed, the migration of metal atoms and the segregation of different metal phases might occur in SAAs and DAAs. As a proxy for the synthesizability and stability of the considered alloys, we evaluated the formation energy of the SAAs used for training SGD by using DFT-mBEEF calculations. The details are presented in Section 4 of the ESI. The formation energy reflects the thermodynamic stability of the SAA system compared to the puremetal phases. Our results show that the formation energies strongly depend on the host and SA. SAAs with favorable as well as unfavorable formation energies are present in our data set. In general, large C-O bond elongation are associated with unfavorable formation energies, i.e., the most unstable SAAs are also the most reactive towards CO 2 activation. Nonetheless, relatively stable alloys can also achieve moderate C-O bond elongations, making them promising candidates for further investigation.