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 29

Li2NbV3O8 phase diagram

Data Docs Logs

Overview

Details

Comments

Similar

Actions

Teams
Search

Assets

Quests
Posts
APIs
Data

Li2NbV3O8 phase diagram · Files on Ouro

Jun 29

Li2NbV3O8 phase diagram

Data Docs Logs

Overview

Created by route

Calculate energy above the convex hull

Attribution

Connections

1

Inputs

template-Li2NbV3O8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -214.3660 eV; energy change = -0.0193 eV; symmetry: P63mc → P63mc

No compatible actions yet

Attribution

ARR license

Stats

Size: 4.72 MB
Type: .html file
Downloads: 0

Phase diagram of Li2NbV3O8 with Orb v3 conservative inf MPA; e_above_hull: 0.000000 eV/atom; predicted_stable: True

No compatible actions yet

Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Li2NbV3O8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -214.3660 eV; energy change = -0.0193 eV; symmetry: P63mc → P63mc