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

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Fe6Si2 (Fm-3m): GGen Fe-Si candidate, on the hull · Fe3Si Fm-3m crystal structure · Files on Ouro

inOct 1

Fe6Si2 (Fm-3m): GGen Fe-Si candidate, on the hull

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

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Structure

Formula: Fe₃Si
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 4
Lattice a, b, c: 3.952 Å3.952 Å3.952 Å
Angles α, β, γ: 60.00°60.00°60.00°
Volume: 43.65 Å³
Density: 7.44 g/cm³

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

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Structure

Formula: Fe₃Si
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 4
Lattice a, b, c: 3.952 Å3.952 Å3.952 Å
Angles α, β, γ: 60.00°60.00°60.00°
Volume: 43.65 Å³
Density: 7.44 g/cm³

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GGen Fe-Si candidate: Fm-3m (#225), on the hull, -8.013 eV/atom, 16 atoms

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Size: 870 B
Type: .cif file
Downloads: 0

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

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Fe6Si2 (Fm-3m): GGen Fe-Si candidate, on the hull

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