Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Ggen exploration explorationCo-Fe-Mn20260101_230157
Ggen chemical family search (explorationCo-Fe-Mn20260101_201147)
Phase diagram of Mn4(FeCo3)3; eabovehull: 0.022406 eV/atom; predicted_stable: True
Ggen chemical family search (explorationCo-Fe-Mn20260101_201147)
Phase diagram of Mn12Fe7Bi; eabovehull: 0.130156 eV/atom; predicted_stable: False
Ggen chemical family search
Supercell 2x2x2 of MnFe4Ni (Space group: P-43m, 192 symmetry operations)
Ggen testing
Supercell 2x2x2 of MnFe4Ni (Space group: P3m1, 48 symmetry operations)
ggen testing
Supercell 3x3x3 of FeBiO3 (Space group: R3c, 486 symmetry operations)
Phase diagram of Fe13Sb3N2; eabovehull: 0.162266 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz
Fe13Sb3N2 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))
Phase diagram of Fe16BiN2; eabovehull: 0.305757 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz
Fe16N2Bi (requested SG: P-42m #111, calculated SG: P1 #1, optimized: 182 steps, cell relaxed (isotropic))
MatterGen generated Fe7B4W5 crystal (space group: Pm #6, crystal system: monoclinic)
MatterGen generated Fe(BW)2 crystal (space group: P2_1/m #11, crystal system: monoclinic)
MatterGen generated Fe3B5W crystal (space group: P1 #1, crystal system: triclinic)