@mmoderwell

Phase diagram of Mn3(FeB)4; eabovehull: 0.571204 eV/atom; predicted_stable: False

Fe4Mn3B4 (requested SG: P-43m #215, calculated SG: P-42m #111, optimized: 282 steps, cell relaxed (isotropic))

GGen mutation trajectory for visualization

Phase diagram of Mn2Fe4CoB4; eabovehull: 0.219876 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.39 THz

Crystal structure for Mn2Fe4CoB4 | Space group: 1 (resolved from structure) | Number of atoms: 11 | Generated: 2025-09-14 16:56:10

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

Phase diagram of Mn3(FeB)4; eabovehull: 0.230450 eV/atom; predicted_stable: False

Fe4Mn3B4 (requested SG: Pmmm #47, calculated SG: P1 #1, optimized: 281 steps, cell relaxed (isotropic))

GGen mutation trajectory for visualization

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

Phase diagram of MnFe4(CoB2)2; eabovehull: 0.163655 eV/atom; predicted_stable: False

Crystal structure for MnFe4(CoB2)2 | Space group: 38 (resolved from structure) | Number of atoms: 11 | Generated: 2025-09-14 16:51:48

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.21 THz

Phase diagram of Mn3(FeB)4; eabovehull: 0.201464 eV/atom; predicted_stable: False

Fe4Mn3B4 (requested SG: P-62m #189, calculated SG: Amm2 #38, optimized: 73 steps, cell relaxed (isotropic))

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