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

Ca3Cr2O6 phase diagram 1

Data Docs Logs

Overview

Details

Comments

Similar

Actions

Teams
Search

Assets

Quests
Posts
APIs
Data

Jun 29

Ca3Cr2O6 phase diagram 1

Data Docs Logs

Overview

Created by route

Calculate energy above the convex hull

Attribution

Connections

1

Inputs

template-Ca3Cr2O6 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -156.1201 eV; energy change = -1.3138 eV; symmetry: R-3c → R-3c

No compatible actions yet

Attribution

ARR license

Phase diagram of Ca3Cr2O6 with Orb v3 conservative inf MPA; e_above_hull: 0.081124 eV/atom; predicted_stable: False

Ca3Cr2O6 phase diagram 1 · Files on Ouro

Stats

Size: 4.65 MB
Type: .html file
Downloads: 0

No compatible actions yet

Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Ca3Cr2O6 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -156.1201 eV; energy change = -1.3138 eV; symmetry: R-3c → R-3c