@mmoderwell

Phase diagram of Mn3Fe4(BC)2; eabovehull: 0.492109 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.53 THz

Phase diagram of Mn3(FeB)4; eabovehull: 0.368453 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.23 THz

Fe4Mn3B4 (requested SG: Pmm2 #25, calculated SG: Pm #6, optimized: 94 steps, cell relaxed (isotropic))

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -14.14 THz

Phase diagram of Mn3(FeB)4; eabovehull: 0.423533 eV/atom; predicted_stable: False

Phase diagram of Mn3(FeB)4; eabovehull: 1.465140 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -8.21 THz

Fe4Mn3B4 (requested space group: P6/mmm #191, optimized: 16 steps, cell relaxed (isotropic))

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.29 THz

Phase diagram of MnFe4(CoB2)2; eabovehull: 0.204302 eV/atom; predicted_stable: False

Phase diagram of Mn3(FeB)4; eabovehull: 0.237738 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.13 THz

Fe4Mn3B4 (requested SG: P321 #150, calculated SG: P1 #1, optimized: 315 steps, cell relaxed (isotropic))

Phase diagram of MnFe4(CoB2)2; eabovehull: 0.302463 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.85 THz

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -6.18 THz

Phase diagram of Mn3(FeB)4; eabovehull: 0.704986 eV/atom; predicted_stable: False

Fe4Mn3B4 (requested SG: P4/m #83, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))