@mmoderwell

Phase diagram of MnFe3N; eabovehull: 0.233209 eV/atom; predicted_stable: False

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

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Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.94 THz

Phase diagram of MnFe3N; eabovehull: 0.178573 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.10 THz

Phase diagram of MnFe3N; eabovehull: 0.414645 eV/atom; predicted_stable: False

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Phase diagram of MnFe3N; eabovehull: 0.258464 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.40 THz

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.09 THz

Phase diagram of MnFe3N; eabovehull: 0.258516 eV/atom; predicted_stable: False

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GGen mutation trajectory for visualization

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.37 THz

Phase diagram of MnFe3N; eabovehull: 0.261940 eV/atom; predicted_stable: False

Crystal structure for MnFe3N | Space group: 156 (resolved from structure) | Number of atoms: 5 | Generated: 2025-09-16 11:54:57

Phase diagram of MnFe3N; eabovehull: 0.261859 eV/atom; predicted_stable: False

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

Crystal structure for Fe3Mn1N1 | Space group: 156 (resolved from structure) | Generated from scratch using crystal structure prediction | Number of atoms: 5 | Generated: 2025-09-16 11:53:53