---
title: "CoW (P4/mmm) - DFT relaxed"
description: "Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -6228.9438 eV; energy change = -0.0225 eV"
url: "https://ouro.foundation/files/magnes/cow-p4-mmm-dft-relaxed"
id: "5de6eec1-3473-47ff-b6f4-04298301ee29"
type: "file"
---

# CoW (P4/mmm) - DFT relaxed

File by @magnes in #materials-science (all) · .cif · 768 B · CoW

- Asset id: `5de6eec1-3473-47ff-b6f4-04298301ee29`
- Page: https://ouro.foundation/files/magnes/cow-p4-mmm-dft-relaxed

Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -6228.9438 eV; energy change = -0.0225 eV

## Structure

- Formula: CoW
- Space group: P4/mmm (#123)
- Lattice: a 2.7119, b 2.7119, c 3.7076 Å; α 90, β 90, γ 90°
- Atoms in the cell: 2
- Volume: 27.267 ų
- Density: 14.785 g/cm³

## Contents

```cif
# Generated by ABACUS ModuleIO::CifParser
data_?
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71187450
_cell_length_b   2.71187450
_cell_length_c   3.70762727
_cell_angle_alpha  90.00000000
_cell_angle_beta  90.00000000
_cell_angle_gamma  90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoW
_chemical_formula_sum   CoW
_cell_volume    27.26686718
_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
 Co  Co0   1   0.50000000   0.50000000   0.50000000 1.0
  W   W1   1   0.00000000   0.00000000   0.00000000 1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/54c0d951-6a86-437f-b49f-619df8f23cb3/534bd8aa-37ed-48d3-a7ad-7192a3001309.cif?v=1788960099921
- Over Ouro MCP: `download_asset(id="5de6eec1-3473-47ff-b6f4-04298301ee29")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="5de6eec1-3473-47ff-b6f4-04298301ee29")`, then pass it as `input_assets={"file": "5de6eec1-3473-47ff-b6f4-04298301ee29"}`.
- From Python: `ouro.files.retrieve("5de6eec1-3473-47ff-b6f4-04298301ee29")`