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Sep 24

Fe14Y2B 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: Y₂Fe₁₄B
Space group: P4_2/mnm (136)
Crystal system: Tetragonal
Atoms per cell: 68

Structure

Formula: Y₂Fe₁₄B
Space group: P4_2/mnm (136)
Crystal system: Tetragonal
Atoms per cell: 68

Lattice a, b, c

8.725 Å, 8.725 Å, 11.968 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

911.12 Å³

Density

7.08 g/cm³

Attribution

Connections

1

Inputs

Y2Fe14B (P4_2/mnm).cif

Actions

Estimate the Curie temperature from Prophet-Spin exchangesuccess

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Fe14Y2B relaxed with Prophet-OAME-MBD, with ferromagnetic local moments from Prophet-Spin (Ms = 1.838 T) in the _atom_site_moment loop.

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Fe14Y2B relaxed with Prophet · Y2Fe14B P4_2/mnm crystal structure · Files on Ouro

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Size: 6.62 KB
Type: .cif file
Downloads: 0

47

Created by route

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

Connections

1

Inputs

Y2Fe14B (P4_2/mnm).cif

Actions

Estimate the Curie temperature from Prophet-Spin exchangesuccess

DataData

DataData

Overview

Fe14Y2B relaxed with Prophet

Overview

Structure

Structure

Attribution

Connections

Inputs

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Stats

Connections

Inputs

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Data

Data