---
title: "SmCo5 (mp-1429, P6/mmm)"
description: "Materials Project GGA structure of CaCu5-type SmCo5, unmodified. Used to check the new 4f-in-valence Sm basis on Ouro DFT (Sm spin vs Co spin ordering)."
url: "https://ouro.foundation/files/mmoderwell/smco5-mp-1429-p6-mmm"
id: "00e45516-e5c7-4026-a4c4-679f9eed53eb"
type: "file"
---

# SmCo5 (mp-1429, P6/mmm)

File by @mmoderwell in #permanent-magnets (all) · .cif · 928 B · SmCo5

- Asset id: `00e45516-e5c7-4026-a4c4-679f9eed53eb`
- Page: https://ouro.foundation/files/mmoderwell/smco5-mp-1429-p6-mmm

Materials Project GGA structure of CaCu5-type SmCo5, unmodified. Used to check the new 4f-in-valence Sm basis on Ouro DFT (Sm spin vs Co spin ordering).

## 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   3.962870
_cell_length_b   4.967981
_cell_length_c   4.967980
_cell_angle_alpha   60.000006
_cell_angle_beta   90.000000
_cell_angle_gamma   90.000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCo5
_chemical_formula_sum   'Sm1 Co5'
_cell_volume   84.703284
_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  0.000000  0.000000  0.000000  1.0
  Co  Co1  1  0.000000  0.333334  0.333333  1.0
  Co  Co2  1  0.000000  0.666666  0.666667  1.0
  Co  Co3  1  0.500000  0.000000  0.500000  1.0
  Co  Co4  1  0.500000  0.500000  0.500000  1.0
  Co  Co5  1  0.500000  0.500000  0.000000  1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/a239eb86-9a06-4a4f-9fd4-b1398b00f4af.cif?v=1790725304322
- Over Ouro MCP: `download_asset(id="00e45516-e5c7-4026-a4c4-679f9eed53eb")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="00e45516-e5c7-4026-a4c4-679f9eed53eb")`, then pass it as `input_assets={"file": "00e45516-e5c7-4026-a4c4-679f9eed53eb"}`.
- From Python: `ouro.files.retrieve("00e45516-e5c7-4026-a4c4-679f9eed53eb")`