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Version of · via Relax a crystal structure

Co3Sn2S2 Shandite P6₃/mmc CIF

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Co3Sn2S2 Shandite P6₃/mmc CIF - relaxed · P1 crystal structure · Files on Ouro

Jul 6

Co3Sn2S2 Shandite P6₃/mmc CIF - relaxed

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Version of · via Relax a crystal structure

Co3Sn2S2 Shandite P6₃/mmc CIF

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Structure

Formula: Co₃Sn₂S₂
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 14
Lattice a, b, c: 6.464 Å5.051 Å8.421 Å
Angles α, β, γ: 89.83°106.98°111.41°
Volume: 243.14 Å³
Density: 6.53 g/cm³

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Structure

Formula: Co₃Sn₂S₂
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 14
Lattice a, b, c: 6.464 Å5.051 Å8.421 Å
Angles α, β, γ: 89.83°106.98°111.41°
Volume: 243.14 Å³
Density: 6.53 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -76.3358 eV; energy change = -181.6087 eV; symmetry: P6_3/mmc → P1

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Size: 1.17 KB
Type: .cif file
Downloads: 0

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Co3Sn2S2 Shandite P6₃/mmc CIF - relaxed

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Structure

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