Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Phase diagram of MnBi; e_above_hull: 0.184241 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -25.2515 eV; energy change = 0.0000 eV; symmetry: P6_3/mmc → P6_3/mmc
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
mp-568382
Phase diagram of Fe3CoN; e_above_hull: 0.080521 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.77 THz
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -40.7885 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -179.0284 eV; energy change = -87.5695 eV; symmetry: I422 → P1
Co6Fe16Pt2 (space group: I422 #97, crystal system: tetragonal, point group: 422) (missed expected composition: Co6Fe16Pt2)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -182.1193 eV; energy change = -65.2697 eV; symmetry: Cmmm → Pm
Co6Fe16Pt2 (space group: Cmmm #65, crystal system: orthorhombic, point group: mmm) (missed expected composition: Co6Fe16Pt2)
Phase diagram of Fe2NiBi; e_above_hull: 0.370855 eV/atom; predicted_stable: False
Phase diagram of Fe8Co3Pt; e_above_hull: 0.033890 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -191.0519 eV; energy change = -0.0024 eV; symmetry: Imm2 → Imm2
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = 0.00 THz
Phase diagram of Fe15Ir; e_above_hull: 0.000000 eV/atom; predicted_stable: True
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -135.7751 eV; energy change = -0.0058 eV; symmetry: Pm-3m → Pm-3m
Fe15Ir (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)