FeCoNiPt (Pmmm) - relaxed

Name: FeCoNiPt (Pmmm) - relaxed
Creator: will
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.9506 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

993.00 B

.cif file

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1 input asset

FeCoNiPt (Pmmm)
.cif file
FeCoNiPt (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)
30d

4 derivative assets

FeCoNiPt phase diagram 2
.html file
Phase diagram of FeCoNiPt; e_above_hull: 0.000000 eV/atom; predicted_stable: True
29d
FeCoNiPt phase diagram 1
.html file
Phase diagram of FeCoNiPt; e_above_hull: 0.000000 eV/atom; predicted_stable: True
29d
FeCoNiPt (Pmmm) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
29d
FeCoNiPt phase diagram
.html file
Phase diagram of FeCoNiPt; e_above_hull: 0.000000 eV/atom; predicted_stable: True
30d

1 reference

MAE Testing the Treequest Search
post
After 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
28d