Fe8Bi2N (P-3m1) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -76.7223 eV; energy change = -7.8651 eV; symmetry: P-3m1 → P-3m1
Fe8Bi2N (P-3m1)
.cif fileFe8Bi2N (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)
4moPhonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -7.64 THz
4moFe8Bi2N phase diagram
.html filePhase diagram of Fe8Bi2N; e_above_hull: 0.656510 eV/atom; predicted_stable: False
4mo
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