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

Jul 6

Cs2GaAgF6 Fm-3m CIF - relaxed

Data Docs Logs

Overview

Created by route

Relax a crystal structure

1view1view

Structure

Formula: Cs₂GaAgF₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40

Structure

Formula: Cs₂GaAgF₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40

Lattice a, b, c

8.961 Å, 8.960 Å, 8.961 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

719.46 Å³

Density

5.15 g/cm³

Attribution

Connections

1

Inputs

Cs2GaAgF6 Fm-3m CIF.cif

Actions

Join to comment

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -173.2553 eV; energy change = -11.5376 eV; symmetry: Fm-3m → Fm-3m

ARR license

Cs2GaAgF6 Fm-3m CIF - relaxed · Fm-3m crystal structure · Files on Ouro

1view

Stats

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

Join to comment

Created by route

Relax a crystal structure

47

Connections

1

Inputs

Cs2GaAgF6 Fm-3m CIF.cif

DataData

DataData

Overview

Cs2GaAgF6 Fm-3m CIF - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Actions

Stats

Connections

Inputs

Actions

Data

Data