Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -34.9246 eV; energy change = -1.2445 eV; symmetry: P-6m2 → P-6m2
Fe2TaN (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
Phase diagram of TaFe2N; e_above_hull: 1.122509 eV/atom; predicted_stable: False