Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -58.1543 eV; energy change = -7.8850 eV; symmetry: P4/mmm → P4/mmm
Fe6BiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -4.61 THz
Phase diagram of Fe6BiB; e_above_hull: 0.499019 eV/atom; predicted_stable: False