gen_9 FeCoPt - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -191.0519 eV; energy change = -0.0024 eV; symmetry: Imm2 → Imm2
gen_9 FeCoPt
.cif file4moFe8Co3Pt phase diagram
.html filePhase diagram of Fe8Co3Pt; e_above_hull: 0.033890 eV/atom; predicted_stable: False
4moPhonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
4mois a post describing the next steps after an initial pipeline run. The goal is to find materials with strong magnetocrystalline anisotropy energy (MAE) to validate candidates further. The text notes a model that predicts FePt around 3.07 meV and literature values for Nd2Fe14B near 2.9 meV per unit cell, suggesting values above about 2.5 meV are promising, since most materials have MAE below 0.1 meV. Several candidate results are shared, The notes mention exploring MnBi as a non-rare alternative and plan more testing later.
4mo