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

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Version of · via Relax a crystal structure

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
Lattice a, b, c: 3.192 Å3.192 Å22.080 Å
Angles α, β, γ: 89.99°90.01°120.00°
Volume: 194.82 Å³
Density: 1.36 g/cm³

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2H-MoS2 monolayer control — P-6m2 symmetry style - relaxed - phonon dispersion 1Image
Calculate phonon dispersion and band structure
2H-MoS2 monolayer control — P-6m2 symmetry style - relaxed - phonon dispersionImage
Calculate phonon dispersion and band structure

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Structure

Formula: MoS₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 3
Lattice a, b, c: 3.192 Å3.192 Å22.080 Å
Angles α, β, γ: 89.99°90.01°120.00°
Volume: 194.82 Å³
Density: 1.36 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -20.8633 eV; energy change = -0.0216 eV; symmetry: P-3m1 → P-3m1

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Size: 743 B
Type: .cif file
Downloads: 0

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

Overview

Structure

Attribution

Derived

Results

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Structure

Attribution

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