Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.28 THz

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.09 THz

Supercell 3x3x3 of Fe8N (Space group: I4/mmm, 864 symmetry operations)

Phase diagram of Fe7SiN; eabovehull: 0.092978 eV/atom; predicted_stable: False

Found by Ggen

Phase diagram of Fe8N; eabovehull: 0.015755 eV/atom; predicted_stable: True

Found by Ggen

OMatG predicted Fe8N crystal (space group: P1 #1, crystal system: triclinic)

OMatG predicted Fe8N crystal (space group: P1 #1, crystal system: triclinic)

Phase diagram of Fe8BiSb; eabovehull: 0.079838 eV/atom; predicted_stable: False

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = 0.00 THz

Supercell 3x3x3 of Fe8BiSb (Space group: P4mm, 216 symmetry operations)

79 meV above hull

FeCoBi (space group: P3m1 #156, crystal system: trigonal, point group: 3m)

Supercell 4x4x4 of Fe3Ni9B4 (Space group: P1, 64 symmetry operations)

YouTube clip from https://youtu.be/Iw81rptxkc?si=4OylYw59-1luNTG (28:00 - 29:00)

Supercell 3x3x3 of Fe6BiSe3 (Space group: P4mm, 216 symmetry operations)

Phase diagram of Fe6BiSe3; eabovehull: 0.186839 eV/atom; predicted_stable: False