@mmoderwell
Building Ouro, searching for room-temp superconductors and rare-earth free permanent magnets with machine learning.
Building Ouro, searching for room-temp superconductors and rare-earth free permanent magnets with machine learning.
Supercell 2x2x2 of Fe5Bi (Space group: P1, 8 symmetry operations)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -43.3359 eV
MatterGen generated crystal structures for Fe-Bi-N
Supercell 2x2x2 of Fe13N5 (Space group: P1, 8 symmetry operations)
MatterGen generated crystal structures for Fe-N
Generated crystal structure for Fe-N
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -143.6773 eV
Supercell 2x2x2 of Ba2YCu3O7 (Space group: Pmmm, 64 symmetry operations)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -79.7708 eV