Building Ouro, searching for room-temp superconductors and rare-earth free permanent magnets with machine learning.
Crystal structure for Fe11Co(GeAs)2 | Space group: 8 (resolved from structure) | Number of atoms: 16 | Generated: 2025-09-15 08:19:42
Phase diagram of Fe11Co(GeAs)2; e_above_hull: 0.134744 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -92.7775 eV; energy change = -0.0324 eV; symmetry: C2/m → R-3m
Crystal structure for Fe11Co(GeAs)2 | Space group: 8 (resolved from structure) | Number of atoms: 16 | Generated: 2025-09-15 08:13:58
MatterGen generated Fe2Co2Sn5Sb3 crystal (space group: P1 #1, crystal system: triclinic)
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; e_above_hull: 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; e_above_hull: 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; e_above_hull: 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