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Fe-Bi-S gen_10 - relaxed

Name: Fe-Bi-S gen_10 - relaxed
Creator: mmoderwell
Published: 2025-06-28T13:43:00.023676+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Fe-Bi-S gen_10

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Fe-Bi-S gen_10 - relaxed - 4x4x4 supercell.cif
Expand a crystal structure into a supercell
Fe-Bi-S gen_10 - relaxed - 2x2x2 supercell.cif
Expand a crystal structure into a supercell

Structure

Formula: FeBiS₂
Space group: P2_1/m (11)
Crystal system: Monoclinic
Atoms per cell: 8
Lattice a, b, c: 5.681 Å3.435 Å8.489 Å
Angles α, β, γ: 90.00°102.34°90.00°
Volume: 161.85 Å³
Density: 6.75 g/cm³

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Structure

Formula: FeBiS₂
Space group: P2_1/m (11)
Crystal system: Monoclinic
Atoms per cell: 8
Lattice a, b, c: 5.681 Å3.435 Å8.489 Å
Angles α, β, γ: 90.00°102.34°90.00°
Volume: 161.85 Å³
Density: 6.75 g/cm³

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Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -42.9355 eV; energy change = -0.1362 eV; symmetry: P2_1/m → P2_1/m

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Size: 926 B
Type: .cif file
Downloads: 1

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Fe-Bi-S gen_10 - relaxed

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Supporting

Structure

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Structure

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Data

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