@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.
Supercell 3x3x3 of Fe6Co2N (Space group: P1, 54 symmetry operations)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -140.0058 eV; energy change = -15.5831 eV; symmetry: C2/m → P1
Supercell 4x4x4 of FeNi (Space group: P4/mmm, 1024 symmetry operations)
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