Sep 6

Fe3W (P4/mmm) - DFT relaxed

Name: Fe3W (P4/mmm) - DFT relaxed
Creator: magnes
Published: 2026-09-06T16:20:06.295451+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via DFT structure relaxation

Fe3W H5 anchor (ordered Fe17W3-motif analog, P4/mmm)

1111

Structure

Formula: Fe₃W
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 4.159 Å4.159 Å2.968 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 51.34 Å³
Density: 11.37 g/cm³

Attribution

Connections

3

Included in datasets

Rare-earth-free magnet candidates

Linked from

H5 verdict: the Fe17W3 motif carries the 5d anisotropy — anchor MAE 6.5 MJ/m3 (SUPPORTED)
H5 evidence for this quest's comparison and decision items (items 8 and 11): the Fe17W3 mo...

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Magnetic anisotropy energy, Error
Magnetic anisotropy energy, Error
Magnetic anisotropy energy, Error

Structure

Formula: Fe₃W
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 4.159 Å4.159 Å2.968 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 51.34 Å³
Density: 11.37 g/cm³

Attribution

ARR license

Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -12293.5014 eV; energy change = -0.0747 eV

11

Stats

Size: 881 B
Type: .cif file
Downloads: 0

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50

Connections

3

Included in datasets

Rare-earth-free magnet candidates

Linked from

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Magnetic anisotropy energy, Error
Magnetic anisotropy energy, Error
Magnetic anisotropy energy, Error

DataData

DataData

Overview

Fe3W (P4/mmm) - DFT relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Linked from

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Linked from

Actions

Data

Data