4mo

gen_2 FeTeCo - relaxed

Name: gen_2 FeTeCo - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.1333 eV; energy change = -0.0415 eV; symmetry: Pccm → Pccm

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888.00 B

.cif file

1 input asset

2 derivative assets

.cif file
Interstitially doped with B at ~2.0%; supercell [2, 2, 2]; dopant atoms = 1
3mo
.html file
Phase diagram of FeCoTe2; e_above_hull: 0.099749 eV/atom; predicted_stable: False
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