Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -16.2918 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -16.2918 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -16.2918 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
Phase diagram of FeN; eabovehull: 0.366793 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -16.2918 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
Phase diagram of FeN; eabovehull: 0.366793 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -16.2918 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
8 generated crystal structures with magnetic density 0.13, HHI score 0.3
8 generated crystal structures with magnetic density 0.15, HHI score 0.1
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
Phase diagram of Fe7Co; eabovehull: 0.002261 eV/atom; predicted_stable: True
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -132.8010 eV; energy change = -0.0008 eV; symmetry: Cmmm → Cmmm
16 generated crystal structures with magnetic density 0.13
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
Phase diagram of FeCoB; eabovehull: 0.016309 eV/atom; predicted_stable: True