Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.5281 eV; energy change = -0.0667 eV; symmetry: P-3m1 → P-3m1
Fe2B (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)
Phase diagram of Fe2B; e_above_hull: 0.334326 eV/atom; predicted_stable: False