Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
MatterGen magnetic density 0.12 generation
Chemeleon generated Fe3Pt crystal (space group: P1 #1, crystal system: triclinic, point group: 1) (missed requested crystal system: cubic) (missed expected composition: FeCoNiPt)
Chemeleon generated Nd2Fe13B2 crystal (space group: P1 #1, crystal system: triclinic, point group: 1) (missed requested crystal system: tetragonal) (missed expected composition: Nd2Fe14B)
2 crystal structures generated from text: A crystal structure of MnFe6Bi with tetragonal symmetry
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.21 THz
4 unique crystal structures for composition MnFe7Bi
Phase diagram of MnFe2Bi; eabovehull: 0.510861 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -55.6330 eV; energy change = -0.4884 eV; symmetry: Cm → Cm
1 unique crystal structures for composition Fe6MnBi
8 generated crystal structures for the chemical system Fe-Bi-B
Phase diagram of Fe6BiB2; eabovehull: 0.643968 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -6.20 THz
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -64.0170 eV; energy change = -0.3202 eV; symmetry: P4/mmm → P4/mmm
Fe6BiB3 (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
Fe6BiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)