---
title: "GdCo5 FM magnetic moments"
description: "Converged Mulliken magnetic moments (FM: Gd +6.14 μB parallel to Co; net 14.17 μB/cell). PBE, 150 Ry. Metastable: 0.23 eV/f.u. above the FiM ground state."
url: "https://ouro.foundation/files/mmoderwell/gdco5-fm-magnetic-moments"
id: "b9093fe3-5049-4087-b38f-db5d3bf5a340"
type: "file"
---

# GdCo5 FM magnetic moments

File by @mmoderwell in #permanent-magnets (all) · .cif · 1.4 KB · GdCo5

- Asset id: `b9093fe3-5049-4087-b38f-db5d3bf5a340`
- Page: https://ouro.foundation/files/mmoderwell/gdco5-fm-magnetic-moments

Converged Mulliken magnetic moments (FM: Gd +6.14 μB parallel to Co; net 14.17 μB/cell). PBE, 150 Ry. Metastable: 0.23 eV/f.u. above the FiM ground state.

## Structure

- Formula: GdCo5
- Space group: P6/mmm (#191)
- Lattice: a 4.993, b 4.993, c 3.8572 Å; α 90, β 90, γ 120°
- Atoms in the cell: 6
- Volume: 83.277 ų
- Density: 9.011 g/cm³

## Contents

```cif
# generated using pymatgen
data_GdCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99302700
_cell_length_b   4.99302000
_cell_length_c   3.85716000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99994500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdCo5
_chemical_formula_sum   'Gd1 Co5'
_cell_volume   83.27712949
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Gd  0.0
  Co  0.0
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
  Gd  Gd0  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co1  1  0.66666667  0.33333333  0.00000000  1.0
  Co  Co2  1  0.33333333  0.66666667  0.00000000  1.0
  Co  Co3  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co4  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co5  1  0.00000000  0.50000000  0.50000000  1.0
loop_
 _atom_site_moment_label
 _atom_site_moment_crystalaxis_x
 _atom_site_moment_crystalaxis_y
 _atom_site_moment_crystalaxis_z
  Gd0  0.00000000  0.00000000  6.14390000
  Co1  0.00000000  0.00000000  1.61110000
  Co2  0.00000000  0.00000000  1.61110000
  Co3  0.00000000  0.00000000  1.60180000
  Co4  0.00000000  0.00000000  1.60180000
  Co5  0.00000000  0.00000000  1.60180000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/195129f3-cab0-4aa5-919a-592b4f0b8a04.cif?v=1790730199237
- Over Ouro MCP: `download_asset(id="b9093fe3-5049-4087-b38f-db5d3bf5a340")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="b9093fe3-5049-4087-b38f-db5d3bf5a340")`, then pass it as `input_assets={"file": "b9093fe3-5049-4087-b38f-db5d3bf5a340"}`.
- From Python: `ouro.files.retrieve("b9093fe3-5049-4087-b38f-db5d3bf5a340")`