@mmoderwell

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

Phase diagram of GaFe6Co; eabovehull: 0.027048 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2868 eV; energy change = -0.0114 eV; symmetry: Pmm2 → Pmm2

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.2912 eV; energy change = -0.0126 eV; symmetry: P4/mmm → P4/mmm

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.3190 eV; energy change = -0.0060 eV; symmetry: P4/mmm → P4/mmm

GaFe4Co (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

GaFe6Co (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

GaFe2Co (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz

Phase diagram of GaFe2Co; eabovehull: 0.114171 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2867 eV; energy change = -0.0112 eV; symmetry: Pmm2 → Pmm2

GaFe2Co (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

Supercell 2x2x2 of GaFe2Co (Space group: P4mm, 64 symmetry operations)

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.08 THz

Phase diagram of GaFe2Co; eabovehull: 0.066706 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.3785 eV; energy change = -0.0035 eV; symmetry: Fm-3m → Fm-3m

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.4767 eV; energy change = -0.0010 eV; symmetry: P4mm → P4mm

Phase diagram of Fe3CoAu; eabovehull: 0.111199 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -70.6838 eV; energy change = -0.0692 eV; symmetry: I4mm → I4mm

MatterGen magnetic density 0.12 generation