@mmoderwell

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

Ggen exploration

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -8.97 THz

Phase diagram of Fe17Sn3; eabovehull: 0.049997 eV/atom; predicted_stable: False

Ggen exploration

Phase diagram of MnFe13; eabovehull: 0.079989 eV/atom; predicted_stable: False

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -17.71 THz

Ggen exploration

Phase diagram of MnFe9; eabovehull: 0.003684 eV/atom; predicted_stable: True

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -2.73 THz

Ggen exploration

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -18.01 THz

Phase diagram of Mn3Fe10Sn3; eabovehull: 0.147450 eV/atom; predicted_stable: False

Ggen exploration

Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -21.75 THz

Phase diagram of MnFe11Si2; eabovehull: 0.209136 eV/atom; predicted_stable: False

Ggen exploration (explorationFe-Mn-Si20260105_132623)

From the NovoMag dataset Experimental: 0.41 MJ/m3 NovoMag theoretical: 0.22 MJ/m3

From the NovoMag database. Comparing MAE values with our calculator. Experimental: 1.0 MJ/m3 NovoMag theoretical: 0.72 MJ/m3

From NovoMag database. Testing against our MAE calculator. Experimental MAE: 1.7 MJ/m3 NovoMag theoretical: 1.53 MJ/m3