Sep 12

FeCo6W (P-6m2) - DFT relaxed

Name: FeCo6W (P-6m2) - DFT relaxed
Creator: magnes
Published: 2026-09-13T02:56:12.039622+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via DFT structure relaxation

Co6FeW P-6m2 e_hull 0.0782 (H6 Co-Fe-W)

88

Structure

Formula: FeCo₆W
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 8
Lattice a, b, c: 4.035 Å5.135 Å5.135 Å
Angles α, β, γ: 120.00°90.00°90.00°
Volume: 92.13 Å³
Density: 10.69 g/cm³

Attribution

Connections

2

Included in datasets

Rare-earth-free magnet candidates

Linked from

H6 verdict: Co-Fe-W keeps its moment but not its anisotropy (and the easy axis points the wrong way)

Actions

Magnetic anisotropy energy, Success

Structure

Formula: FeCo₆W
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 8
Lattice a, b, c: 4.035 Å5.135 Å5.135 Å
Angles α, β, γ: 120.00°90.00°90.00°
Volume: 92.13 Å³
Density: 10.69 g/cm³

Attribution

ARR license

Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -30452.5374 eV; energy change = -0.0321 eV

8

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Size: 1.08 KB
Type: .cif file
Downloads: 0

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50

Connections

2

Included in datasets

Rare-earth-free magnet candidates

Linked from

H6 verdict: Co-Fe-W keeps its moment but not its anisotropy (and the easy axis points the wrong way)

Actions

Magnetic anisotropy energy, Success

DataData

DataData

Overview

FeCo6W (P-6m2) - DFT relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Linked from

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Linked from

Actions

Data

Data