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

Version of · via Relax a crystal structure

template-Li2V3WS8 1

7views

Details

Comments

Similar

Actions

Chat

template-Li2V3WS8 1 - relaxed · P6_3mc crystal structure · Files on Ouro

inJun 29

template-Li2V3WS8 1 - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-Li2V3WS8 1

7views7views

Structure

Formula: Li₂V₃WS₈
Space group: P6_3mc (186)
Crystal system: Hexagonal
Atoms per cell: 28
Lattice a, b, c: 7.084 Å7.083 Å11.576 Å
Angles α, β, γ: 89.99°90.02°120.00°
Volume: 503.04 Å³
Density: 4.01 g/cm³

Attribution

Actions

Join to comment

Structure

Formula: Li₂V₃WS₈
Space group: P6_3mc (186)
Crystal system: Hexagonal
Atoms per cell: 28
Lattice a, b, c: 7.084 Å7.083 Å11.576 Å
Angles α, β, γ: 89.99°90.02°120.00°
Volume: 503.04 Å³
Density: 4.01 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -177.7487 eV; energy change = -55.1386 eV; symmetry: P6_3mc → P6_3mc

ARR license

7views

Stats

Size: 1.69 KB
Type: .cif file
Downloads: 1

Join to comment

50

DataData

DataData

Overview

template-Li2V3WS8 1 - relaxed

Overview

Structure

Attribution

Actions

Structure

Attribution

Stats

Actions

Data

Data