@mmoderwell

Phase diagram of Fe4Ge; eabovehull: 0.000000 eV/atom; predicted_stable: True

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -12.60 THz

On the hull

9meV above the hull

5meV above the hull

13meV above the hull

7meV above the hull

Supercell 2x2x2 of Fe3Co4Ge (Space group: P4/mmm, 128 symmetry operations)

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -59.2814 eV; energy change = -0.0025 eV; symmetry: P4/mmm → P4/mmm

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz

Phase diagram of Fe3Co4Ge; eabovehull: 0.000000 eV/atom; predicted_stable: True

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -7.27 THz

Ggen exploration

Supercell 3x3x3 of MnFeCo2 (Space group: P4/mmm, 432 symmetry operations)

Phase diagram of Mn2FeCo3; eabovehull: 0.011740 eV/atom; predicted_stable: True

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -7.33 THz

Phase diagram of MnFeCo2; eabovehull: 0.007111 eV/atom; predicted_stable: True

Ggen exploration