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

1view

Details

Comments

Similar

Actions

Chat

Rb2GaAgF6 Fm-3m CIF - relaxed · Fm-3m crystal structure · Files on Ouro

Jul 6

Rb2GaAgF6 Fm-3m CIF - relaxed

Data Docs Logs

Overview

Created by route

Relax a crystal structure

1view1view

Structure

Formula: Rb₂GaAgF₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40

Structure

Formula: Rb₂GaAgF₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40

Lattice a, b, c

8.777 Å, 8.777 Å, 8.777 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

676.09 Å³

Density

4.54 g/cm³

Attribution

Connections

1

Inputs

Rb2GaAgF6 Fm-3m CIF.cif

Actions

Join to comment

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -174.2020 eV; energy change = -11.6577 eV; symmetry: Fm-3m → Fm-3m

ARR license

1view

Stats

Size: 2.19 KB
Type: .cif file
Downloads: 0

Join to comment

47

Created by route

Relax a crystal structure

Connections

1

Inputs

Rb2GaAgF6 Fm-3m CIF.cif

DataData

DataData

Overview

Rb2GaAgF6 Fm-3m CIF - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Actions

Stats

Connections

Inputs

Actions

Data

Data