gen_Co2Fe1Pt1_4_1 - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1047 eV; energy change = -0.0019 eV; symmetry: P4/mmm → P4/mmm
gen_Co2Fe1Pt1_4_1
.cif file3mogen_Co2Fe1Pt1_4_1 - relaxed - 3x3x3 supercell
.cif fileSupercell 3x3x3 of FeCo2Pt (Space group: Pmm2, 108 symmetry operations)
3mogen_Co2Fe1Pt1_4_1 - relaxed - phonon dispersion
Image filePhonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
3moFeCo2Pt phase diagram
.html filePhase diagram of FeCo2Pt; e_above_hull: 0.017357 eV/atom; predicted_stable: True
3moMAE Testing the Treequest Search
postAfter ran the pipeline, we are left with a handful of our best candidates to continue validating. The next filter they need to pass is a decent magnetocrystalline anisotropy energy. Check out Will's
3mo
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3 derivative assets
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