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

Sep 24

Fe17Sm2 relaxed with Prophet

Data Docs Logs

Overview

Created by route

Relax a structure and return a magCIF with ground-state moments

6views6views

Structure

Formula: Sm₂Fe₁₇
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 19

Structure

Formula: Sm₂Fe₁₇
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 19

Lattice a, b, c

6.443 Å, 6.443 Å, 6.443 Å

Angles α, β, γ

82.96°, 82.96°, 82.96°

Volume

261.92 Å³

Density

7.92 g/cm³

Attribution

Connections

1

Inputs

Sm2Fe17 (R-3m).cif

Actions

Estimate the Curie temperature from Prophet-Spin exchangesuccess

Join to comment

Fe17Sm2 relaxed with Prophet-OAME-MBD, with ferromagnetic local moments from Prophet-Spin (Ms = 2.045 T) in the _atom_site_moment loop.

ARR license

Fe17Sm2 relaxed with Prophet · Sm2Fe17 R-3m crystal structure · Files on Ouro

6views

Stats

Size: 2.49 KB
Type: .cif file
Downloads: 0

47

Join to comment

Created by route

Relax a structure and return a magCIF with ground-state moments

Connections

1

Inputs

Sm2Fe17 (R-3m).cif

Actions

Estimate the Curie temperature from Prophet-Spin exchangesuccess

DataData

DataData

Overview

Fe17Sm2 relaxed with Prophet

Overview

Structure

Structure

Attribution

Connections

Inputs

Actions

Stats

Connections

Inputs

Actions

Data

Data