Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -66.7689 eV; energy change = -14.7900 eV; symmetry: P6_3/mmc → P-6m2
Crystal structure generated by TreeQuest optimization (file 25)
Phase diagram of TiAlN2; e_above_hull: 0.285597 eV/atom; predicted_stable: False