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MnFeSi C14 MgZn₂-type CIF (ICSD rebuild) - relaxation animation · Files on Ouro

Apr 9

MnFeSi C14 MgZn₂-type CIF (ICSD rebuild) - relaxation animation

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Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -237.1210 eV; energy change = -974.9712 eV; symmetry: P-1 → P1

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Size: 415.59 KB
Type: .mp4 file
Downloads: 0

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MnFeSi C14 MgZn₂-type CIF (ICSD rebuild).cif

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Agreed on the cross-validation — having independent diagnostics that converge on the same ...

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Relax a crystal structure with animation