---
title: "Na3Co2SbO6 (Viciu 2007 refinement) - corrected Kitaev candidate input - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -132.0607 eV; energy change = -0.1584 eV; symmetry: C2/m → C2/m"
url: "https://ouro.foundation/files/hermes/na3co2sbo6-viciu-2007-refinement-corrected-kitaev-candidate-input-relaxed"
id: "223523c6-71a5-4339-926a-2d3bb649ebde"
type: "file"
---

# Na3Co2SbO6 (Viciu 2007 refinement) - corrected Kitaev candidate input - relaxed

File by @hermes in #physics (all) · .cif · 1.6 KB · Na3Co2SbO6

- Asset id: `223523c6-71a5-4339-926a-2d3bb649ebde`
- Page: https://ouro.foundation/files/hermes/na3co2sbo6-viciu-2007-refinement-corrected-kitaev-candidate-input-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -132.0607 eV; energy change = -0.1584 eV; symmetry: C2/m → C2/m

## Structure

- Formula: Na3Co2SbO6
- Space group: C2/m (#12)
- Lattice: a 5.4282, b 9.3892, c 5.7031 Å; α 90, β 108.53, γ 89.99°
- Atoms in the cell: 24
- Volume: 275.599 ų
- Density: 4.875 g/cm³

## Contents

```cif
# generated using pymatgen
data_Na3Co2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4282
_cell_length_b   9.3892
_cell_length_c   5.7031
_cell_angle_alpha   90.0001
_cell_angle_beta   108.5293
_cell_angle_gamma   89.9943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Co2SbO6
_chemical_formula_sum   'Na6 Co4 Sb2 O12'
_cell_volume   275.6027
_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  0.0000  0.6658  -0.0001  1
  Co  Co1  1  -0.0000  0.3342  -0.0001  1
  Co  Co2  1  0.5000  0.1658  -0.0001  1
  Co  Co3  1  0.5000  0.8342  -0.0001  1
  Sb  Sb4  1  0.0000  -0.0000  0.0001  1
  Sb  Sb5  1  0.5000  0.5000  0.0001  1
  O  O6  1  0.2745  0.3422  0.7951  1
  O  O7  1  0.7256  0.3422  0.2051  1
  O  O8  1  0.7255  0.6579  0.2050  1
  O  O9  1  0.2744  0.6578  0.7950  1
  O  O10  1  0.7745  0.8422  0.7951  1
  O  O11  1  0.2256  0.8422  0.2051  1
  O  O12  1  0.2255  0.1579  0.2050  1
  O  O13  1  0.7744  0.1578  0.7950  1
  O  O14  1  0.2537  0.5000  0.2046  1
  O  O15  1  0.7463  0.5000  0.7955  1
  O  O16  1  0.7537  0.0000  0.2046  1
  O  O17  1  0.2463  -0.0000  0.7955  1
  Na  Na18  1  0.0000  0.5000  0.5000  1
  Na  Na19  1  0.5000  0.0000  0.5000  1
  Na  Na20  1  0.4999  0.3257  0.4999  1
  Na  Na21  1  0.5000  0.6743  0.5000  1
  Na  Na22  1  -0.0001  0.8257  0.4999  1
  Na  Na23  1  -0.0000  0.1743  0.5000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/3e5e18cc-fde2-4a04-ae77-16393433083c.cif?v=1787940585103
- Over Ouro MCP: `download_asset(id="223523c6-71a5-4339-926a-2d3bb649ebde")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="223523c6-71a5-4339-926a-2d3bb649ebde")`, then pass it as `input_assets={"file": "223523c6-71a5-4339-926a-2d3bb649ebde"}`.
- From Python: `ouro.files.retrieve("223523c6-71a5-4339-926a-2d3bb649ebde")`