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Mn2GaFe (Pm) - relaxed - doped B 5.0% - relaxation animation · Files on Ouro

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Mn2GaFe (Pm) - relaxed - doped B 5.0% - relaxation animation

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Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -249.8914 eV; energy change = -3.2800 eV; symmetry: Pm → Amm2

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Type: .mp4 file
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Mn2GaFe (Pm) - relaxed - doped B 5.0%
.cif
Interstitially doped with B at ~5.0%; supercell [2, 2, 2]; dopant atoms = 2

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Relax a crystal structure with animation