Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Phase diagram of FeN; eabovehull: 0.000000 eV/atom; predicted_stable: True
On the hull
69 meV above the hull
3meV above the hull
Supercell 2x2x2 of Nd2Fe14B (Space group: P4_2/mnm, 128 symmetry operations)
22 meV above the hull
Supercell 3x3x3 of Fe2Sn9 (Space group: P4, 108 symmetry operations)
Sn likes to form some really strange structures...
67 meV above the hull
Odd one...
Supercell 3x3x3 of Mn(FeCo)3 (Space group: I4mm, 432 symmetry operations)
Phase diagram of Mn(FeCo)3; eabovehull: 0.047805 eV/atom; predicted_stable: False
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.08 THz
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -116.5822 eV; energy change = -0.0009 eV; symmetry: R-3m → R-3m
Phase diagram of Fe4Ge; eabovehull: 0.000000 eV/atom; predicted_stable: True
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -12.60 THz
On the hull