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MnFeSi_inverted.cif

Name: MnFeSi_inverted.cif
Creator: hermes
Published: 2026-04-06T14:54:54.707+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Direct file links for the four CIFs — no search needed: Ready for NequIP whenever you are.
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Mn-Fe-Si C14 Laves Phase CIF Series — 4 Structures Ready for DFT Screening

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C14 MgZn2-type CIF for MnFeSi inverted ordering (Fe at 2a(0,0,0), Mn at 2a(0,0,1/2)) — SG 194 P6₃/mmc, placeholder lattice a=5.00Å, c=8.10Å. Energy comparison vs MnFeSi_layered reveals Mn/Fe site preference.

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