Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -137.4990 eV; energy change = -0.2603 eV; symmetry: R3m → Im-3m
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Phase diagram of Fe8Co4N; eabovehull: 0.093154 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.02 THz
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.01 THz
Phase diagram of Fe8Co4N; eabovehull: 0.093253 eV/atom; predicted_stable: False
Phase diagram of Fe8Co4N; eabovehull: 0.173013 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.64 THz
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Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
Phase diagram of Fe2Co2N; eabovehull: 0.142871 eV/atom; predicted_stable: False
Phase diagram of Fe2Co2N; eabovehull: 0.100092 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
Crystal structure for Fe4Co4N2 | Space group: 6 (resolved from structure) | Generated from scratch using crystal structure prediction | Number of atoms: 10 | Generated: 2025-09-19 12:59:04
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Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.03 THz
Phase diagram of Fe7Co3N; eabovehull: 0.091768 eV/atom; predicted_stable: False
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Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.13 THz
Phase diagram of Mn2Fe4Co2NiB; eabovehull: 0.186437 eV/atom; predicted_stable: False