Sep 10

2H-MoS2 monolayer control (literature PBE geometry)

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Structure

Formula: MoS₂
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 3

Structure

Formula: MoS₂
Space group: P6/mmm (191)
Crystal system: Hexagonal
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

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4

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Known-answer control: 2H-MoS2 monolayer, a=3.160 A, Mo-S 2.41 A (literature PBE); same construction style as the Janus WXY inputs; 18.5 A vacuum

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Size: 530 B
Type: .cif file
Downloads: 0

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Overview

2H-MoS2 monolayer control (literature PBE geometry)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Linked from

Actions

Stats

Connections

Derived assets

Linked from

Actions

Data

Data