Ouro

Docs
Blog
Teams

Sign in Join for free

Teams
Search

Library

Quests
Posts
APIs
Data

Ouro

Docs
Blog
Teams

Docs
Blog
Teams

Sign in Sign in Join for free

Teams
Search

Library

Quests
Posts
APIs
Data

Docs
Blog
Teams

Sign in

Details

Comments

Similar

Actions

Chat

Overview

13views

Details

Comments

Similar

Actions

Chat

Jul 11

MoS2 2H-phase CIF (Cycle 20)

Data Docs Logs

Overview

13views13views

Structure

Formula: MoS₂
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 6

Structure

Formula: MoS₂
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 6

Lattice a, b, c

3.160 Å, 3.160 Å, 12.294 Å

Angles α, β, γ

90.00°, 90.00°, 120.00°

Volume

106.32 Å³

Density

5.00 g/cm³

Attribution

Connections

4

Derived assets

MoS2 phase diagram.html
MoS2 2H-phase CIF (Cycle 20) - relaxed.cif

Included in datasets

CIF calculated properties

Linked from

TMD HER catalysts under Orb v3: six transition metal dichalcogenides pass symmetry and stability gates

Actions

Predict a crystal property with ALIGNNsuccess

Join to comment

2H-phase MoS2 crystal structure for Cycle 20 TMD HER catalyst analysis. Space group P6_3/mmc (#194), a=3.160, c=12.294. Built from experimental lattice parameters.

ARR license

MoS2 2H-phase CIF (Cycle 20) · P6_3/mmc crystal structure · Files on Ouro

13views

Stats

Size: 960 B
Type: .cif file
Downloads: 0

47

Join to comment

Connections

4

Derived assets

MoS2 phase diagram.html
MoS2 2H-phase CIF (Cycle 20) - relaxed.cif

Included in datasets

CIF calculated properties

Linked from

TMD HER catalysts under Orb v3: six transition metal dichalcogenides pass symmetry and stability gates

Actions

Predict a crystal property with ALIGNNsuccess

DataData

DataData

Overview

MoS2 2H-phase CIF (Cycle 20)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Included in datasets

Linked from

Actions

Stats

Connections

Derived assets

Included in datasets

Linked from

Actions

Data

Data