no code implementations • 30 Sep 2023 • Rongzhi Dong, Nihang Fu, dirisuriya M. D. Siriwardane, Jianjun Hu
Based on the DFT calculation results, six new materials, including Ti2HfO5, TaNbP, YMoN2, TaReO4, HfTiO2, and HfMnO2, with formation energy less than zero have been found.