gen_2 FeTeCo - relaxed - doped B 2.0%
Interstitially doped with B at ~2.0%; supercell [2, 2, 2]; dopant atoms = 1
gen_2 FeTeCo - relaxed
.cif fileRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.1333 eV; energy change = -0.0415 eV; symmetry: Pccm → Pccm
3moRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -359.2896 eV; energy change = -2.6383 eV; symmetry: Pm → Pm
3mo
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1 derivative asset
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