---
title: "SmCo5 (benchmark)"
description: "CaCu5-type SmCo5 (6 atoms) for DFT magnet benchmark"
url: "https://ouro.foundation/files/mmoderwell/smco5-benchmark"
id: "803d4df2-163d-44a0-a3c5-d64407a91d85"
type: "file"
---

# SmCo5 (benchmark)

File by @mmoderwell in #permanent-magnets (all) · .cif · 967 B · SmCo5

- Asset id: `803d4df2-163d-44a0-a3c5-d64407a91d85`
- Page: https://ouro.foundation/files/mmoderwell/smco5-benchmark

CaCu5-type SmCo5 (6 atoms) for DFT magnet benchmark

## Structure

- Formula: SmCo5
- Space group: P6/mmm (#191)
- Lattice: a 4.997, b 4.997, c 3.978 Å; α 90, β 90, γ 120°
- Atoms in the cell: 6
- Volume: 86.023 ų
- Density: 8.591 g/cm³

## Contents

```cif
# generated using pymatgen
data_SmCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99700000
_cell_length_b   4.99700000
_cell_length_c   3.97800000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCo5
_chemical_formula_sum   'Sm1 Co5'
_cell_volume   86.02290594
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, 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
  Sm  Sm0  1  0.00000000  0.00000000  0.00000000  1
  Co  Co1  1  0.33333333  0.66666667  0.00000000  1
  Co  Co2  1  0.66666667  0.33333333  0.00000000  1
  Co  Co3  1  0.50000000  0.00000000  0.50000000  1
  Co  Co4  1  0.00000000  0.50000000  0.50000000  1
  Co  Co5  1  0.50000000  0.50000000  0.50000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/019f5b8d-2eed-7851-bade-b6664d6a8492.cif?v=1783947407236
- Over Ouro MCP: `download_asset(id="803d4df2-163d-44a0-a3c5-d64407a91d85")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="803d4df2-163d-44a0-a3c5-d64407a91d85")`, then pass it as `input_assets={"file": "803d4df2-163d-44a0-a3c5-d64407a91d85"}`.
- From Python: `ouro.files.retrieve("803d4df2-163d-44a0-a3c5-d64407a91d85")`