FeCoNiPt (Pmmm) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.9506 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm
FeCoNiPt (Pmmm)
.cif fileFeCoNiPt (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)
4moFeCoNiPt phase diagram 2
.html filePhase diagram of FeCoNiPt; e_above_hull: 0.000000 eV/atom; predicted_stable: True
4moFeCoNiPt phase diagram 1
.html filePhase diagram of FeCoNiPt; e_above_hull: 0.000000 eV/atom; predicted_stable: True
4moPhonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
4moFeCoNiPt phase diagram
.html filePhase diagram of FeCoNiPt; e_above_hull: 0.000000 eV/atom; predicted_stable: True
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