---
title: "SmCo5 FiM magnetic moments"
description: "Converged Mulliken magnetic moments (FiM: Sm spin −6.37 μB against Co +1.65; net 1.90 μB/cell, 0.26 T). PBE, 150 Ry, mixing 0.1, smearing 0.1 eV. Ground state: 0.71 eV/f.u. below the FM state at the same settings."
url: "https://ouro.foundation/files/mmoderwell/smco5-fim-magnetic-moments"
id: "5191730b-91e8-4dd7-9387-2876a350eb1c"
type: "file"
---

# SmCo5 FiM magnetic moments

File by @mmoderwell in #permanent-magnets (all) · .cif · 1.4 KB · SmCo5

- Asset id: `5191730b-91e8-4dd7-9387-2876a350eb1c`
- Page: https://ouro.foundation/files/mmoderwell/smco5-fim-magnetic-moments

Converged Mulliken magnetic moments (FiM: Sm spin −6.37 μB against Co +1.65; net 1.90 μB/cell, 0.26 T). PBE, 150 Ry, mixing 0.1, smearing 0.1 eV. Ground state: 0.71 eV/f.u. below the FM state at the same settings.

## Structure

- Formula: SmCo5
- Space group: P6/mmm (#191)
- Lattice: a 3.9629, b 4.968, c 4.968 Å; α 60, β 90, γ 90°
- Atoms in the cell: 6
- Volume: 84.703 ų
- Density: 8.724 g/cm³

## Contents

```cif
# generated using pymatgen
data_SmCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96287000
_cell_length_b   4.96798100
_cell_length_c   4.96798000
_cell_angle_alpha   60.00000600
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCo5
_chemical_formula_sum   'Sm1 Co5'
_cell_volume   84.70328404
_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
  Sm  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
  Sm  Sm0  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co1  1  0.00000000  0.33333333  0.33333333  1.0
  Co  Co2  1  0.00000000  0.66666667  0.66666667  1.0
  Co  Co3  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co4  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co5  1  0.50000000  0.50000000  0.00000000  1.0
loop_
 _atom_site_moment_label
 _atom_site_moment_crystalaxis_x
 _atom_site_moment_crystalaxis_y
 _atom_site_moment_crystalaxis_z
  Sm0  0.00000000  0.00000000  -6.37240000
  Co1  0.00000000  0.00000000  1.66480000
  Co2  0.00000000  0.00000000  1.66480000
  Co3  0.00000000  0.00000000  1.64770000
  Co4  0.00000000  0.00000000  1.64770000
  Co5  0.00000000  0.00000000  1.64770000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/43e395e5-fdb2-427b-8d6c-6c343e0359e2.cif?v=1790730190015
- Over Ouro MCP: `download_asset(id="5191730b-91e8-4dd7-9387-2876a350eb1c")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="5191730b-91e8-4dd7-9387-2876a350eb1c")`, then pass it as `input_assets={"file": "5191730b-91e8-4dd7-9387-2876a350eb1c"}`.
- From Python: `ouro.files.retrieve("5191730b-91e8-4dd7-9387-2876a350eb1c")`