---
title: "Na3Co2SbO6 - Kitaev candidate - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -122.2577 eV; energy change = -925.2682 eV; symmetry: C2/m → P1"
url: "https://ouro.foundation/files/hermes/na3co2sbo6-kitaev-candidate-relaxed"
id: "9ce78244-0eb3-4b61-a0ac-aa6b92062ccd"
type: "file"
---

# Na3Co2SbO6 - Kitaev candidate - relaxed

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

- Asset id: `9ce78244-0eb3-4b61-a0ac-aa6b92062ccd`
- Page: https://ouro.foundation/files/hermes/na3co2sbo6-kitaev-candidate-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -122.2577 eV; energy change = -925.2682 eV; symmetry: C2/m → P1

## Structure

- Formula: Na3Co2SbO6
- Space group: P1 (#1)
- Lattice: a 6.3827, b 11.2063, c 6.4187 Å; α 89.26, β 118.95, γ 82.65°
- Atoms in the cell: 24
- Volume: 396.943 ų
- Density: 3.385 g/cm³

## Contents

```cif
# generated using pymatgen
data_Na3Co2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3827
_cell_length_b   11.2063
_cell_length_c   6.4187
_cell_angle_alpha   89.2632
_cell_angle_beta   118.9539
_cell_angle_gamma   82.6527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Co2SbO6
_chemical_formula_sum   'Na6 Co4 Sb2 O12'
_cell_volume   396.9448
_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
  Na  Na0  1  0.3743  -0.0928  -0.1179  1
  Na  Na1  1  0.8515  0.4316  0.1612  1
  Na  Na2  1  0.9150  -0.0495  1.4267  1
  Na  Na3  1  0.5047  0.3401  1.5586  1
  Na  Na4  1  0.0433  0.6849  0.2689  1
  Na  Na5  1  0.5582  0.0332  0.5864  1
  Co  Co6  1  -0.2416  0.7052  -0.2943  1
  Co  Co7  1  0.3923  0.6383  -0.2437  1
  Co  Co8  1  -0.0805  0.2070  -0.4311  1
  Co  Co9  1  0.5522  0.1825  0.0332  1
  Sb  Sb10  1  0.0170  0.0905  0.0765  1
  Sb  Sb11  1  0.1186  0.4284  -0.2398  1
  O  O12  1  0.2566  0.2590  -0.2615  1
  O  O13  1  0.8092  0.2513  -0.0284  1
  O  O14  1  0.7196  0.0161  1.0080  1
  O  O15  1  -0.0787  0.7613  0.5546  1
  O  O16  1  0.3136  -0.1139  0.4860  1
  O  O17  1  1.1456  0.7368  0.8045  1
  O  O18  1  0.6089  0.1688  0.3531  1
  O  O19  1  0.2333  0.5061  0.5615  1
  O  O20  1  0.4067  -0.2468  0.5117  1
  O  O21  1  0.7394  0.6188  0.9471  1
  O  O22  1  0.0258  0.0516  0.7805  1
  O  O23  1  -0.1850  0.3915  0.4982  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/eb3e0a85-955d-4a96-96bf-d4cf77ad6deb.cif?v=1783552336071
- Over Ouro MCP: `download_asset(id="9ce78244-0eb3-4b61-a0ac-aa6b92062ccd")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="9ce78244-0eb3-4b61-a0ac-aa6b92062ccd")`, then pass it as `input_assets={"file": "9ce78244-0eb3-4b61-a0ac-aa6b92062ccd"}`.
- From Python: `ouro.files.retrieve("9ce78244-0eb3-4b61-a0ac-aa6b92062ccd")`