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Sep 24

Fe17Sm2N3 relaxed with Prophet

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Overview

Created by route

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

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Structure

Formula: Sm₂Fe₁₇N₃
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 22

Structure

Formula: Sm₂Fe₁₇N₃
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 22

Lattice a, b, c

6.532 Å, 6.532 Å, 6.532 Å

Angles α, β, γ

83.30°, 83.30°, 83.30°

Volume

273.36 Å³

Density

7.85 g/cm³

Attribution

Connections

1

Inputs

Sm2Fe17N3 (R-3m).cif

Actions

Estimate the Curie temperature from Prophet-Spin exchangesuccess

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Fe17Sm2N3 relaxed with Prophet-OAME-MBD, with ferromagnetic local moments from Prophet-Spin (Ms = 1.952 T) in the _atom_site_moment loop.

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Fe17Sm2N3 relaxed with Prophet · Sm2Fe17N3 R-3m crystal structure · Files on Ouro

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Size: 2.64 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

Sm2Fe17N3 (R-3m).cif

Actions

Estimate the Curie temperature from Prophet-Spin exchangesuccess

DataData

DataData

Overview

Fe17Sm2N3 relaxed with Prophet

Overview

Structure

Structure

Attribution

Connections

Inputs

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Stats

Connections

Inputs

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Data

Data