Fe2CoGe (Pmm2) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.5764 eV; energy change = -0.0556 eV; symmetry: Pmm2 → Pmm2
Fe2CoGe (Pmm2)
.cif fileFe2CoGe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
4moFe2CoGe phase diagram
.html filePhase diagram of Fe2CoGe; e_above_hull: 0.148191 eV/atom; predicted_stable: False
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