Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
8 generated crystal structures for the chemical system Fe-Co-Sn-Sb
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
Phase diagram of Fe11Co(GeAs)2; eabovehull: 0.134725 eV/atom; predicted_stable: False
Crystal structure for Fe11Co(GeAs)2 | Space group: 8 (resolved from structure) | Number of atoms: 16 | Generated: 2025-09-15 08:05:45
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -970.5668 eV; energy change = -0.0002 eV; symmetry: Cm → Cm
Supercell 2x2x2 of Fe11CoSiGeAsP (Space group: Cm, 16 symmetry operations)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.03 THz
Phase diagram of Fe11CoSiGeAsP; eabovehull: 0.160836 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -62.4718 eV; energy change = -0.0507 eV; symmetry: Pm → Pm
Crystal structure for Fe11CoSiGeAsP | Space group: 8 (resolved from structure) | Number of atoms: 16 | Generated: 2025-09-15 08:00:24
Phase diagram of Fe11Co(SiP)2; eabovehull: 0.198817 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.88 THz
Crystal structure for Fe11Co(SiP)2 | Space group: 8 (resolved from structure) | Number of atoms: 16 | Generated: 2025-09-15 07:54:54
MatterGen generated Fe3Co3Sn3Sb crystal (space group: Pm #6, crystal system: monoclinic)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -101.2530 eV; energy change = -0.1154 eV; symmetry: P4mm → Pm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -101.1385 eV; energy change = -98.3118 eV; symmetry: P4mm → P4mm
Phase diagram of Fe11CoSnGeSbAs; eabovehull: 0.228176 eV/atom; predicted_stable: False
Fe11CoSn2Sb2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Fe11CoSn2Sb2)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.75 THz