@mmoderwell
Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
8 generated crystal structures with magnetic density 0.13, HHI score 0.3
8 generated crystal structures with magnetic density 0.15, HHI score 0.1
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
Phase diagram of Fe7Co; eabovehull: 0.002261 eV/atom; predicted_stable: True
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -132.8010 eV; energy change = -0.0008 eV; symmetry: Cmmm → Cmmm
16 generated crystal structures with magnetic density 0.13
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
Phase diagram of FeCoB; eabovehull: 0.016309 eV/atom; predicted_stable: True
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -184.4195 eV; energy change = -0.0193 eV; symmetry: Fmmm → Fmmm
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -184.6088 eV; energy change = -0.0207 eV; symmetry: Amm2 → Amm2
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -76.7651 eV; energy change = -0.0401 eV; symmetry: Imm2 → Imm2
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.8209 eV; energy change = -0.0001 eV; symmetry: I4/mmm → I4/mmm