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-MoO2

16views

Details

Comments

Similar

Actions

Chat

template-MoO2 - relaxed · C2/m crystal structure · Files on Ouro

inJun 28

template-MoO2 - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-MoO2

16views16views

Structure

Formula: MoO₂
Space group: C2/m (12)
Crystal system: Monoclinic
Atoms per cell: 3
Lattice a, b, c: 6.226 Å6.258 Å6.380 Å
Angles α, β, γ: 29.91°29.89°29.07°
Volume: 53.74 Å³
Density: 3.95 g/cm³

Attribution

Actions

Join to comment

Structure

Formula: MoO₂
Space group: C2/m (12)
Crystal system: Monoclinic
Atoms per cell: 3
Lattice a, b, c: 6.226 Å6.258 Å6.380 Å
Angles α, β, γ: 29.91°29.89°29.07°
Volume: 53.74 Å³
Density: 3.95 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -21.5676 eV; energy change = -0.0644 eV; symmetry: R-3m → C2/m

ARR license

16views

Stats

Size: 740 B
Type: .cif file
Downloads: 0

Join to comment

50

DataData

DataData

Overview

template-MoO2 - relaxed

Overview

Structure

Attribution

Actions

Structure

Attribution

Stats

Actions

Data

Data