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gen_2 FeTeCo - relaxed - doped B 2.0%

Name: gen_2 FeTeCo - relaxed - doped B 2.0%
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Interstitially doped with B at ~2.0%; supercell [2, 2, 2]; dopant atoms = 1

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.cif file

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.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.1333 eV; energy change = -0.0415 eV; symmetry: Pccm → Pccm
3mo

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Video file
Relaxed 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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