In MP database, 74,922 materials were deposited with their DFT-calculated DOS information as of 2021-03-22. Among them, we collected 62,842 materials consisting of s, p, d-orbitals, which were used to train ESNet. Mean and standard deviation of formation energy (Ef DFT ) were -1.407 and 1.101 eV/atom, respectively, where it ranged from -13.577 to 5.146 eV/atom (Supplementary Fig. ).