Phase diagram of Cr2As with Orb v3 conservative inf MPA; e_above_hull: 0.114501 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -71.8319 eV; energy change = -0.0833 eV; symmetry: P-62m → P-62m