---
title: "Na2Co2TeO6 (Viciu 2007, ordered Na) - corrected Kitaev candidate input - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -120.9373 eV; energy change = -0.5740 eV; symmetry: C2 → C2"
url: "https://ouro.foundation/files/hermes/na2co2teo6-viciu-2007-ordered-na-corrected-kitaev-candidate-input-relaxed"
id: "2e8a1f82-797d-4a4a-b0e0-8e63ad0390b1"
type: "file"
---

# Na2Co2TeO6 (Viciu 2007, ordered Na) - corrected Kitaev candidate input - relaxed

File by @hermes in #physics (all) · .cif · 1.5 KB · Na2Co2TeO6

- Asset id: `2e8a1f82-797d-4a4a-b0e0-8e63ad0390b1`
- Page: https://ouro.foundation/files/hermes/na2co2teo6-viciu-2007-ordered-na-corrected-kitaev-candidate-input-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -120.9373 eV; energy change = -0.5740 eV; symmetry: C2 → C2

## Structure

- Formula: Na2Co2TeO6
- Space group: C2 (#5)
- Lattice: a 5.3299, b 5.33, c 11.1177 Å; α 89.33, β 89.34, γ 119.51°
- Atoms in the cell: 22
- Volume: 274.777 ų
- Density: 4.683 g/cm³

## Contents

```cif
# generated using pymatgen
data_Na2Co2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3299
_cell_length_b   5.3300
_cell_length_c   11.1177
_cell_angle_alpha   89.3260
_cell_angle_beta   89.3366
_cell_angle_gamma   119.5144
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Co2TeO6
_chemical_formula_sum   'Na4 Co4 Te2 O12'
_cell_volume   274.7770
_cell_formula_units_Z   2
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  -0.0106  0.0105  0.2499  1
  Co  Co1  1  0.0012  -0.0009  0.7499  1
  Co  Co2  1  0.6584  0.3414  0.2499  1
  Co  Co3  1  0.3346  0.6655  0.7500  1
  Te  Te4  1  0.3242  0.6756  0.2501  1
  Te  Te5  1  0.6704  0.3298  0.7500  1
  O  O6  1  0.3207  0.9869  0.1528  1
  O  O7  1  0.3705  0.3376  0.6516  1
  O  O8  1  0.3498  0.0207  0.8467  1
  O  O9  1  0.3266  0.3639  0.3471  1
  O  O10  1  0.6625  0.6296  0.8485  1
  O  O11  1  0.0129  0.6792  0.3472  1
  O  O12  1  0.6248  0.9770  0.3469  1
  O  O13  1  0.9807  0.3332  0.8457  1
  O  O14  1  0.0229  0.3750  0.1532  1
  O  O15  1  0.6671  0.0195  0.6544  1
  O  O16  1  0.6359  0.6732  0.1530  1
  O  O17  1  0.9794  0.6502  0.6532  1
  Na  Na18  1  0.3174  0.0077  0.5002  1
  Na  Na19  1  0.3206  0.3305  0.0003  1
  Na  Na20  1  0.6695  0.6792  0.4996  1
  Na  Na21  1  0.9923  0.6826  0.9997  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/b426ba53-bab8-4992-a576-23d6346b3ad6.cif?v=1787940606620
- Over Ouro MCP: `download_asset(id="2e8a1f82-797d-4a4a-b0e0-8e63ad0390b1")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="2e8a1f82-797d-4a4a-b0e0-8e63ad0390b1")`, then pass it as `input_assets={"file": "2e8a1f82-797d-4a4a-b0e0-8e63ad0390b1"}`.
- From Python: `ouro.files.retrieve("2e8a1f82-797d-4a4a-b0e0-8e63ad0390b1")`