Ouro

Docs
Blog
Teams

Sign in Join for free

Teams
Search

Assets

Quests
Posts
APIs
Data

Ouro

Docs
Blog
Teams

Docs
Blog
Teams

Sign in Join for free

Teams
Search

Assets

Quests
Posts
APIs
Data

Docs
Blog
Teams

Teams
Search

Assets

Quests
Posts
APIs
Data

Details

Comments

Similar

Actions

Chat

Jun 28

MgTi2(CoO3)2 phase diagram 1

Data Docs Logs

Overview

Details

Comments

Similar

Actions

Chat

Teams
Search

Assets

Quests
Posts
APIs
Data

MgTi2(CoO3)2 phase diagram 1 · Files on Ouro

Jun 28

MgTi2(CoO3)2 phase diagram 1

Data Docs Logs

Overview

Created by route

Calculate energy above the convex hull

Attribution

Connections

1

Inputs

template-MgTi2(CoO3)2 2 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -80.9600 eV; energy change = -0.0179 eV; symmetry: R3 → R3

No compatible actions yet

Attribution

ARR license

Phase diagram of MgTi2(CoO3)2 with Orb v3 conservative inf MPA; e_above_hull: 0.415482 eV/atom; predicted_stable: False

Stats

Size: 4.7 MB
Type: .html file
Downloads: 0

No compatible actions yet

Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-MgTi2(CoO3)2 2 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -80.9600 eV; energy change = -0.0179 eV; symmetry: R3 → R3