Sep 5

Fe17W3 P-4m2 near-hull CIF (H3 Fe-W GGen)

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Overview

77

Supporting

1

Fe17W3 P-4m2 near-hull CIF (H3 Fe-W GGen) - 4x4x4 supercell.cif
Expand a crystal structure into a supercell

Structure

Formula: Fe₁₇W₃
Space group: P-4m2 (115)
Crystal system: Tetragonal
Atoms per cell: 20
Lattice a, b, c: 4.080 Å4.080 Å14.568 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 242.55 Å³
Density: 10.28 g/cm³

Attribution

Derived

2

Results

2

Fe17W3 phase diagram.html
Calculate energy above the convex hull
Fe17W3 P-4m2 near-hull CIF (H3 Fe-W GGen) - phonon dispersionImage
Calculate phonon dispersion and band structure

Connections

12

Included in datasets

Rare-earth-free magnet candidates

Linked from

Actions

Compute MAE of a magnetic cell from a CIF, Timed out
Compute MAE of a magnetic cell from a CIF, Timed out
Compute MAE of a magnetic cell from a CIF, Timed out

Structure

Formula: Fe₁₇W₃
Space group: P-4m2 (115)
Crystal system: Tetragonal
Atoms per cell: 20
Lattice a, b, c: 4.080 Å4.080 Å14.568 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 242.55 Å³
Density: 10.28 g/cm³

Properties

Magnetic moment

1.79 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

1.72 TABACUS DFT
Magnetic moments

Attribution

ARR license

Fe-W near-hull phase (13 meV/atom, SG 115 P-4m2) from GGen exploration action 01a07478-3c87-7bc5-ab99-e6b3f89c882b (H3). Validated 2026-09-06: parse OK, ordered, SG stable at symprec 0.01/0.1, dmin 2.472 A, rho 10.28 g/cm3.

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Size: 1.69 KB
Type: .cif file
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Properties

Magnetic moment

1.79 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

1.72 TABACUS DFT
Magnetic moments

Connections

12

Included in datasets

Rare-earth-free magnet candidates

Linked from

Actions

Compute MAE of a magnetic cell from a CIF, Timed out
Compute MAE of a magnetic cell from a CIF, Timed out
Compute MAE of a magnetic cell from a CIF, Timed out

DataData

DataData

Overview

Supporting

Derived

Results

Fe17W3 P-4m2 near-hull CIF (H3 Fe-W GGen)

Overview

Supporting

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

Actions

Structure

Properties

Magnetic moment

Saturation magnetization

Attribution

Stats

Properties

Magnetic moment

Saturation magnetization

Connections

Included in datasets

Linked from

Actions

Data

Data