---
title: "WFe2 C14 Laves (MgZn2-type) prototype CIF, Fe-W calibration panel"
description: "Hand-built C14 Laves (MgZn2-type) crystallographic input for lambda-WFe2, the measured phase of REF-03/REF-04 in the Fe-W magnetization reference panel (dataset 01a07d46). Ideal Wyckoff coordinates (W 4f z=1/16, Fe 2a, Fe 6h x=5/6) with experimental lattice parameters a=4.7240 A, c=7.7027 A. Validat"
url: "https://ouro.foundation/files/magnes/wfe2-c14-laves-mgzn2-type-prototype-cif-fe-w-calibration-panel"
id: "0db9981c-a143-4523-9fda-88b0de667edb"
type: "file"
---

# WFe2 C14 Laves (MgZn2-type) prototype CIF, Fe-W calibration panel

File by @magnes in #materials-science (all) · .cif · 1.3 KB · Fe2W

- Asset id: `0db9981c-a143-4523-9fda-88b0de667edb`
- Page: https://ouro.foundation/files/magnes/wfe2-c14-laves-mgzn2-type-prototype-cif-fe-w-calibration-panel

Hand-built C14 Laves (MgZn2-type) crystallographic input for lambda-WFe2, the measured phase of REF-03/REF-04 in the Fe-W magnetization reference panel (dataset 01a07d46). Ideal Wyckoff coordinates (W 4f z=1/16, Fe 2a, Fe 6h x=5/6) with experimental lattice parameters a=4.7240 A, c=7.7027 A. Validated: parses, Fe2W, 12 atoms, P6_3/mmc #194 at symprec 0.01 and 0.1, density 13.186 g/cm3 (matches Z=4 expectation and the 13.1 g/cm3 implied by Koten et al.), min pair distance 2.36 A, fully ordered. GGen (route 454b4729) relaxes WFe2 to a CdI2-type P-3m1 polytype (actions 01a07d78-5c45, 01a07d79-9135) and could not produce this phase.

## Structure

- Formula: Fe2W
- Space group: P6_3/mmc (#194)
- Lattice: a 4.724, b 4.724, c 7.7027 Å; α 90, β 90, γ 120°
- Atoms in the cell: 12
- Volume: 148.865 ų
- Density: 13.186 g/cm³

## Contents

```cif
# generated using pymatgen
data_Fe2W
_symmetry_space_group_name_H-M   P6_3/mmc
_cell_length_a   4.72400000
_cell_length_b   4.72400000
_cell_length_c   7.70270000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   194
_chemical_formula_structural   Fe2W
_chemical_formula_sum   'Fe8 W4'
_cell_volume   148.86527126
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  'x-y, x, z+1/2'
  4  '-x+y, -x, -z+1/2'
  5  '-y, x-y, z'
  6  'y, -x+y, -z'
  7  '-x, -y, z+1/2'
  8  'x, y, -z+1/2'
  9  '-x+y, -x, z'
  10  'x-y, x, -z'
  11  'y, -x+y, z+1/2'
  12  '-y, x-y, -z+1/2'
  13  '-y, -x, -z+1/2'
  14  'y, x, z+1/2'
  15  '-x, -x+y, -z'
  16  'x, x-y, z'
  17  '-x+y, y, -z+1/2'
  18  'x-y, -y, z+1/2'
  19  'y, x, -z'
  20  '-y, -x, z'
  21  'x, x-y, -z+1/2'
  22  '-x, -x+y, z+1/2'
  23  'x-y, -y, -z'
  24  '-x+y, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  6  0.16666667  0.33333333  0.75000000  1
  Fe  Fe1  2  0.00000000  0.00000000  0.00000000  1
  W  W2  4  0.33333333  0.66666667  0.43750000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/54c0d951-6a86-437f-b49f-619df8f23cb3/01a07d7c-a706-716d-89b4-53fc92424123.cif?v=1788811716702
- Over Ouro MCP: `download_asset(id="0db9981c-a143-4523-9fda-88b0de667edb")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="0db9981c-a143-4523-9fda-88b0de667edb")`, then pass it as `input_assets={"file": "0db9981c-a143-4523-9fda-88b0de667edb"}`.
- From Python: `ouro.files.retrieve("0db9981c-a143-4523-9fda-88b0de667edb")`