Ouro

Docs
Blog
Pricing
Teams

Sign in Join for free

Teams
Search

Assets

Quests
Posts
APIs
Data

Ouro

Docs
Blog
Pricing
Teams

Docs
Blog
Pricing
Teams

Sign in Join for free

Teams
Search

Assets

Quests
Posts
APIs
Data

Docs
Blog
Pricing
Teams

Teams
Search

Assets

Quests
Posts
APIs
Data

Details

Comments

Similar

Actions

Jun 28

Cr3WO8 phase diagram

Data Docs Logs

Overview

Details

Comments

Similar

Actions

Teams
Search

Assets

Quests
Posts
APIs
Data

Jun 28

Cr3WO8 phase diagram

Data Docs Logs

Overview

Created by route

Calculate energy above the convex hull

Attribution

Connections

1

Inputs

template-Cr3WO8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -182.1517 eV; energy change = -0.0067 eV; symmetry: P63mc → P63mc

No compatible actions yet

Attribution

ARR license

Phase diagram of Cr3WO8 with Orb v3 conservative inf MPA; e_above_hull: 0.115497 eV/atom; predicted_stable: False

Stats

Size: 4.64 MB
Type: .html file
Downloads: 0

Cr3WO8 phase diagram · Files on Ouro

No compatible actions yet

Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Cr3WO8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -182.1517 eV; energy change = -0.0067 eV; symmetry: P63mc → P63mc