We performed spin-polarized density functional theory (DFT) calculations with the generalized gradient approximation Perdew-Burke-Ernzerhof (GGA-PBE) exchange-correlation functional using Vienna Ab initio Simulation Package (VASP, version 5.4.4) code . To be compatible with training data taken from MP database, the same version of projected augmented wave (PAW) pseudopotential (version 2010-05-06) was employed. The energy cutoff, convergence criteria of energy and force were set to 520 eV, 10 -5 eV and 0.03 eV/Å , respectively.