Reply to Comments on "Accelerated discovery of new 8-Electron Half-Heusler Compounds as Promising Energy and Topological Quantum Materials"

This is a reply to the comment by Xiao, et al. on our recently published paper J. Phys. Chem. C 2019, 123, 12, 7074-7080. In our paper, we did a high-throughput search of all the I-III-IV class of half-Heusler compounds that might exist in cubic phase for various energy applications. We agree that, as suggested by Xiao, et al., doing energy above the compex hull analysis is indeed an important descriptor in high-throughput calculations. However, the literature reports that some of the compounds claimed by Xiao, et al. to be highly unstable are indeed already experimentally synthesised. This raises concerns about the correctness of their presented analysis.