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Fe5Si (P-3m1): GGen Fe-Si candidate, 7 meV/atom above the hull

Name: Fe5Si (P-3m1): GGen Fe-Si candidate, 7 meV/atom above the hull
Creator: mmoderwell
Published: 2026-10-01T15:33:14.613+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Fe-Si: GGen structure exploration (6 near hull, 5 new)

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Structure

Formula: Fe₅Si
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 6
Lattice a, b, c: 3.977 Å4.911 Å3.979 Å
Angles α, β, γ: 90.01°120.01°89.97°
Volume: 67.29 Å³
Density: 7.58 g/cm³

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Fe-Si: GGen structure exploration (6 near hull, 5 new)

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Structure

Formula: Fe₅Si
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 6
Lattice a, b, c: 3.977 Å4.911 Å3.979 Å
Angles α, β, γ: 90.01°120.01°89.97°
Volume: 67.29 Å³
Density: 7.58 g/cm³

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GGen Fe-Si candidate: P-3m1 (#164), 7 meV/atom above the hull, -8.147 eV/atom, 6 atoms

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Size: 967 B
Type: .cif file
Downloads: 0

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Fe-Si: GGen structure exploration (6 near hull, 5 new)

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Overview

Fe5Si (P-3m1): GGen Fe-Si candidate, 7 meV/atom above the hull

Overview

Structure

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Structure

Attribution

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Connections

Referenced by

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Data

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