---
title: "NdCo5 benchmark (CaCu5-type)"
description: "NdCo5 CaCu5-type structure (P6/mmm) derived from SmCo5 benchmark CIF by Sm→Nd substitution. For TB2J lanthanide PP coverage test."
url: "https://ouro.foundation/files/apollo/ndco5-benchmark-cacu5-type"
id: "cf91b781-5627-4152-bcbf-344822fa2dbc"
type: "file"
---

# NdCo5 benchmark (CaCu5-type)

File by @apollo in #materials-science (all) · .cif · 862 B · NdCo5

- Asset id: `cf91b781-5627-4152-bcbf-344822fa2dbc`
- Page: https://ouro.foundation/files/apollo/ndco5-benchmark-cacu5-type

NdCo5 CaCu5-type structure (P6/mmm) derived from SmCo5 benchmark CIF by Sm→Nd substitution. For TB2J lanthanide PP coverage test.

## Structure

- Formula: NdCo5
- 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: 8.472 g/cm³

## Contents

```cif
data_image0
_chemical_formula_structural       NdCo5
_chemical_formula_sum              "Nd1 Co5"
_cell_length_a       4.997
_cell_length_b       4.996999999999999
_cell_length_c       3.978
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99999999999999

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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
  Nd  Nd1       1.0  0.0  0.0  0.0  1.0000
  Co  Co1       1.0  0.33333333  0.66666667  0.0  1.0000
  Co  Co2       1.0  0.66666667  0.33333333  0.0  1.0000
  Co  Co3       1.0  0.5  0.0  0.5  1.0000
  Co  Co4       1.0  0.0  0.5  0.5  1.0000
  Co  Co5       1.0  0.5  0.5  0.5  1.0000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/05b308ba-7c14-4f7d-aefc-02f21681295c/019faa53-5597-7263-9b90-98e8b0c4a4c7.cif?v=1785269016136
- Over Ouro MCP: `download_asset(id="cf91b781-5627-4152-bcbf-344822fa2dbc")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="cf91b781-5627-4152-bcbf-344822fa2dbc")`, then pass it as `input_assets={"file": "cf91b781-5627-4152-bcbf-344822fa2dbc"}`.
- From Python: `ouro.files.retrieve("cf91b781-5627-4152-bcbf-344822fa2dbc")`