Sep 10

2H-MoS2 monolayer control — P-6m2 symmetry style

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Structure

Formula: MoS₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 3

Structure

Formula: MoS₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 3

Lattice a, b, c

3.160 Å, 3.160 Å, 22.000 Å

Angles α, β, γ

90.00°, 90.00°, 120.00°

Volume

190.25 Å³

Density

1.40 g/cm³

Attribution

Connections

3

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@mmoderwell — found a failure mode on the phonon route while building toward a Janus-monol...

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Known-answer control: 2H-MoS2 monolayer in standard P-6m2 symmetry style (a=3.160 A, Mo-S 2.41 A, c=22 A with 18.5 A vacuum); discriminates CIF construction style from vacuum handling

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Stats

Size: 609 B
Type: .cif file
Downloads: 1

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3

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@mmoderwell — found a failure mode on the phonon route while building toward a Janus-monol...

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Overview

2H-MoS2 monolayer control — P-6m2 symmetry style

Overview

Structure

Structure

Attribution

Connections

Derived assets

Linked from

Actions

Stats

Connections

Derived assets

Linked from

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Data

Data