---
title: "template-CoAgTe2 - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -47.5888 eV; energy change = -0.2994 eV; symmetry: P-3m1 → P-3m1"
url: "https://ouro.foundation/files/will/template-coagte2-relaxed"
id: "4c283dd4-b833-422d-baa1-ca7ccd373db2"
type: "file"
---

# template-CoAgTe2 - relaxed

File by @will in #all (all) · .cif · 1.1 KB · CoAgTe2

- Asset id: `4c283dd4-b833-422d-baa1-ca7ccd373db2`
- Page: https://ouro.foundation/files/will/template-coagte2-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -47.5888 eV; energy change = -0.2994 eV; symmetry: P-3m1 → P-3m1

## Structure

- Formula: CoAgTe2
- Space group: P-3m1 (#164)
- Lattice: a 7.9289, b 7.9295, c 5.082 Å; α 89.99, β 90, γ 120°
- Atoms in the cell: 12
- Volume: 276.699 ų
- Density: 7.598 g/cm³

## Contents

```cif
# generated using pymatgen
data_CoAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9289
_cell_length_b   7.9295
_cell_length_c   5.0820
_cell_angle_alpha   89.9929
_cell_angle_beta   90.0050
_cell_angle_gamma   120.0037
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAgTe2
_chemical_formula_sum   'Co3 Ag3 Te6'
_cell_volume   276.6992
_cell_formula_units_Z   3
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  0.4998  0.5003  0.4996  1
  Co  Co1  1  0.0002  0.5001  0.4996  1
  Co  Co2  1  0.4996  -0.0003  0.4996  1
  Ag  Ag3  1  0.6666  0.3333  0.8209  1
  Ag  Ag4  1  0.3335  0.6667  0.1794  1
  Ag  Ag5  1  0.0001  0.0000  0.0001  1
  Te  Te6  1  0.1892  0.8104  0.7416  1
  Te  Te7  1  0.1892  0.3785  0.7410  1
  Te  Te8  1  0.6214  0.8107  0.7412  1
  Te  Te9  1  0.3789  0.1895  0.2585  1
  Te  Te10  1  0.8109  0.6217  0.2595  1
  Te  Te11  1  0.8106  0.1892  0.2590  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/56c30e2b-9868-4313-8927-75459083649d/b479e43a-2394-4b7e-88cf-fc404f8236f2.cif?v=1782722007845
- Over Ouro MCP: `download_asset(id="4c283dd4-b833-422d-baa1-ca7ccd373db2")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="4c283dd4-b833-422d-baa1-ca7ccd373db2")`, then pass it as `input_assets={"file": "4c283dd4-b833-422d-baa1-ca7ccd373db2"}`.
- From Python: `ouro.files.retrieve("4c283dd4-b833-422d-baa1-ca7ccd373db2")`