Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
MatterGen generated Mn2FeBi crystal (space group: Imma #74, crystal system: orthorhombic)
Is it too much Be?
Phase diagram of Fe3Ni9B4; eabovehull: 0.036286 eV/atom; predicted_stable: False
Why such low energy?
Supercell 2x2x2 of FeNiB (Space group: Fmmm, 256 symmetry operations)
Phase diagram of Fe3Ni5B4; eabovehull: 0.040549 eV/atom; predicted_stable: False
Supercell 2x2x2 of Fe3Ni5B4 (Space group: Pmn2_1, 32 symmetry operations)
Close to hull
Phonon band structure (supercell [5, 5, 5], Δ=0.01 Å); imaginary modes detected; min freq = -13.74 THz
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
Phonon band structure (supercell [4, 4, 4], Δ=0.01 Å); imaginary modes detected; min freq = -8.08 THz
Phase diagram of FeCo17; eabovehull: 0.009751 eV/atom; predicted_stable: True
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -6.30 THz
1meV above the hull
Phase diagram of Fe12N2; eabovehull: 0.030937 eV/atom; predicted_stable: False
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.19 THz
Never seen this space group before
Phase diagram of Fe2N; eabovehull: 0.090956 eV/atom; predicted_stable: False