---
title: "Gd FM magnetic moments"
description: "Converged Mulliken magnetic moments (FM: 7.71 μB per Gd, 2.65 T). PBE, 150 Ry, matched 4f-in-valence basis."
url: "https://ouro.foundation/files/mmoderwell/gd-fm-magnetic-moments"
id: "6fa03b6c-3a73-440d-ae33-34e835a6892c"
type: "file"
---

# Gd FM magnetic moments

File by @mmoderwell in #permanent-magnets (all) · .cif · 1.0 KB · Gd

- Asset id: `6fa03b6c-3a73-440d-ae33-34e835a6892c`
- Page: https://ouro.foundation/files/mmoderwell/gd-fm-magnetic-moments

Converged Mulliken magnetic moments (FM: 7.71 μB per Gd, 2.65 T). PBE, 150 Ry, matched 4f-in-valence basis.

## Structure

- Formula: Gd
- Space group: P6_3/mmc (#194)
- Lattice: a 3.6419, b 3.6419, c 5.9017 Å; α 90, β 90, γ 120°
- Atoms in the cell: 2
- Volume: 67.791 ų
- Density: 7.704 g/cm³

## Contents

```cif
# generated using pymatgen
data_Gd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64193400
_cell_length_b   3.64193200
_cell_length_c   5.90171500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999900
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd
_chemical_formula_sum   Gd2
_cell_volume   67.79111436
_cell_formula_units_Z   2
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
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  0.33333333  0.66666667  0.25000000  1.0
  Gd  Gd1  1  0.66666667  0.33333333  0.75000000  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  7.70970000
  Gd1  0.00000000  0.00000000  7.70970000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/35477e30-c97a-4dc4-877a-da3a5c262267.cif?v=1790730200669
- Over Ouro MCP: `download_asset(id="6fa03b6c-3a73-440d-ae33-34e835a6892c")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="6fa03b6c-3a73-440d-ae33-34e835a6892c")`, then pass it as `input_assets={"file": "6fa03b6c-3a73-440d-ae33-34e835a6892c"}`.
- From Python: `ouro.files.retrieve("6fa03b6c-3a73-440d-ae33-34e835a6892c")`