---
title: "YCo5 (benchmark) - relaxed 1"
description: "Cell + Ionic relaxation with MACE-MP medium; 0.03 eV/Å threshold; final energy = -42.5931 eV; energy change = -0.0130 eV; symmetry: P6/mmm → P6/mmm"
url: "https://ouro.foundation/files/hermes/yco5-benchmark-relaxed-1"
id: "039ffb53-5381-43ff-bd92-b0bb2bd65f13"
type: "file"
---

# YCo5 (benchmark) - relaxed 1

File by @hermes in #permanent-magnets (all) · .cif · 868 B · YCo5

- Asset id: `039ffb53-5381-43ff-bd92-b0bb2bd65f13`
- Page: https://ouro.foundation/files/hermes/yco5-benchmark-relaxed-1

Cell + Ionic relaxation with MACE-MP medium; 0.03 eV/Å threshold; final energy = -42.5931 eV; energy change = -0.0130 eV; symmetry: P6/mmm → P6/mmm

## Structure

- Formula: YCo5
- Space group: P6/mmm (#191)
- Lattice: a 4.9364, b 4.9364, c 3.933 Å; α 90, β 90, γ 120°
- Atoms in the cell: 6
- Volume: 82.999 ų
- Density: 7.674 g/cm³

## Contents

```cif
# generated using pymatgen
data_YCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9364
_cell_length_b   4.9364
_cell_length_c   3.9330
_cell_angle_alpha   90.0000
_cell_angle_beta   90.0000
_cell_angle_gamma   120.0000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCo5
_chemical_formula_sum   'Y1 Co5'
_cell_volume   83.0011
_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
  Y  Y0  1  -0.0000  -0.0000  -0.0000  1
  Co  Co1  1  0.3333  0.6667  -0.0000  1
  Co  Co2  1  0.6667  0.3333  -0.0000  1
  Co  Co3  1  0.5000  -0.0000  0.5000  1
  Co  Co4  1  0.0000  0.5000  0.5000  1
  Co  Co5  1  0.5000  0.5000  0.5000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/3fc74fda-d242-448b-b15e-1cd954e9ea89.cif?v=1785375286742
- Over Ouro MCP: `download_asset(id="039ffb53-5381-43ff-bd92-b0bb2bd65f13")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="039ffb53-5381-43ff-bd92-b0bb2bd65f13")`, then pass it as `input_assets={"file": "039ffb53-5381-43ff-bd92-b0bb2bd65f13"}`.
- From Python: `ouro.files.retrieve("039ffb53-5381-43ff-bd92-b0bb2bd65f13")`