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Part of · via Expand a crystal structure into a supercell

Fe2B DFT relaxed structure

From Fe2B (I4/mmm)

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Fe2B DFT relaxed structure - 2x2x2 supercell · I4/mmm crystal structure · Files on Ouro

inAug 3

Fe2B DFT relaxed structure - 2x2x2 supercell

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Part of · via Expand a crystal structure into a supercell

Fe2B DFT relaxed structure

From Fe2B (I4/mmm)

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Structure

Formula: Fe₂B
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 24
Lattice a, b, c: 4.957 Å4.957 Å9.031 Å
Angles α, β, γ: 105.93°105.93°90.00°
Volume: 204.52 Å³
Density: 7.96 g/cm³

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Structure

Formula: Fe₂B
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 24
Lattice a, b, c: 4.957 Å4.957 Å9.031 Å
Angles α, β, γ: 105.93°105.93°90.00°
Volume: 204.52 Å³
Density: 7.96 g/cm³

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Supercell 2x2x2 of Fe2B (Space group: I4/mmm, 128 symmetry operations)

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Size: 1.86 KB
Type: .cif file
Downloads: 0

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Fe2B DFT relaxed structure - 2x2x2 supercell

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Structure

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