Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.3214 eV; energy change = -0.0441 eV; symmetry: P4/mmm → P4/mmm
Fe4AlNbB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4AlNbB2)
Phase diagram of NbAl(Fe2B)2; e_above_hull: 0.488227 eV/atom; predicted_stable: False