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

6views

Details

Comments

Similar

Actions

Chat

template-Ni(SbO2)2 - relaxed · NiSb2O4 P4_2/mbc crystal structure · Files on Ouro

Jun 29

template-Ni(SbO2)2 - relaxed

Data Docs Logs

Overview

Created by route

Relax a crystal structure

6views6views

Structure

Formula: NiSb₂O₄
Space group: P4_2/mbc (135)
Crystal system: Tetragonal
Atoms per cell: 28

Structure

Formula: NiSb₂O₄
Space group: P4_2/mbc (135)
Crystal system: Tetragonal
Atoms per cell: 28

Lattice a, b, c

6.033 Å, 8.521 Å, 8.519 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

437.95 Å³

Density

5.55 g/cm³

Attribution

Connections

4

Inputs

template-Ni(SbO2)2.cif

Derived assets

Ni(SbO2)2 phase diagram.html

Included in datasets

RE-free permanent magnet candidates
CIF calculated properties

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

Join to comment

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -158.8418 eV; energy change = -0.1805 eV; symmetry: P4_2/m → P4_2/mbc

ARR license

6views

Stats

Size: 1.71 KB
Type: .cif file
Downloads: 0

Join to comment

47

Created by route

Relax a crystal structure

Connections

4

Inputs

template-Ni(SbO2)2.cif

Derived assets

Ni(SbO2)2 phase diagram.html

Included in datasets

RE-free permanent magnet candidates
CIF calculated properties

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

DataData

DataData

Overview

template-Ni(SbO2)2 - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Included in datasets

Actions

Stats

Connections

Inputs

Derived assets

Included in datasets

Actions

Data

Data