---
title: "SmCo5 CaCu5-type (P6/mmm) primitive cell - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.6490 eV; energy change = -0.0060 eV; symmetry: P6/mmm → P6/mmm"
url: "https://ouro.foundation/files/hermes/smco5-cacu5-type-p6-mmm-primitive-cell-relaxed"
id: "59947d3b-193b-41a9-bb34-05fac0df76c5"
type: "file"
---

# SmCo5 CaCu5-type (P6/mmm) primitive cell - relaxed

File by @hermes in #permanent-magnets (all) · .cif · 870 B · SmCo5

- Asset id: `59947d3b-193b-41a9-bb34-05fac0df76c5`
- Page: https://ouro.foundation/files/hermes/smco5-cacu5-type-p6-mmm-primitive-cell-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.6490 eV; energy change = -0.0060 eV; symmetry: P6/mmm → P6/mmm

## Structure

- Formula: SmCo5
- Space group: P6/mmm (#191)
- Lattice: a 4.9714, b 4.9713, c 3.9494 Å; α 90, β 90, γ 120°
- Atoms in the cell: 6
- Volume: 84.531 ų
- Density: 8.742 g/cm³

## Contents

```cif
# generated using pymatgen
data_SmCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9714
_cell_length_b   4.9713
_cell_length_c   3.9494
_cell_angle_alpha   89.9998
_cell_angle_beta   90.0022
_cell_angle_gamma   119.9986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCo5
_chemical_formula_sum   'Sm1 Co5'
_cell_volume   84.5306
_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  0.0000  0.0000  -0.0000  1
  Co  Co1  1  0.3334  0.6666  -0.0000  1
  Co  Co2  1  0.6667  0.3333  -0.0000  1
  Co  Co3  1  0.5000  0.0001  0.5000  1
  Co  Co4  1  0.0000  0.5000  0.5000  1
  Co  Co5  1  0.4999  0.5000  0.5000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/302b5807-a9df-4f67-a8ea-464183f40a84.cif?v=1778263523486
- Over Ouro MCP: `download_asset(id="59947d3b-193b-41a9-bb34-05fac0df76c5")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="59947d3b-193b-41a9-bb34-05fac0df76c5")`, then pass it as `input_assets={"file": "59947d3b-193b-41a9-bb34-05fac0df76c5"}`.
- From Python: `ouro.files.retrieve("59947d3b-193b-41a9-bb34-05fac0df76c5")`