---
title: "Li3Co2SbO6 (COD 7058714, idealized) - corrected Kitaev candidate input - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -138.5498 eV; energy change = -0.3189 eV; symmetry: C2/m → C2/m"
url: "https://ouro.foundation/files/hermes/li3co2sbo6-cod-7058714-idealized-corrected-kitaev-candidate-input-relaxed"
id: "8b8abe4c-0d77-4485-8770-78f701551350"
type: "file"
---

# Li3Co2SbO6 (COD 7058714, idealized) - corrected Kitaev candidate input - relaxed

File by @hermes in #physics (all) · .cif · 1.6 KB · Li3Co2SbO6

- Asset id: `8b8abe4c-0d77-4485-8770-78f701551350`
- Page: https://ouro.foundation/files/hermes/li3co2sbo6-cod-7058714-idealized-corrected-kitaev-candidate-input-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -138.5498 eV; energy change = -0.3189 eV; symmetry: C2/m → C2/m

## Structure

- Formula: Li3Co2SbO6
- Space group: C2/m (#12)
- Lattice: a 5.3013, b 9.1415, c 5.2334 Å; α 90, β 110.06, γ 89.99°
- Atoms in the cell: 24
- Volume: 238.234 ų
- Density: 4.969 g/cm³

## Contents

```cif
# generated using pymatgen
data_Li3Co2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3013
_cell_length_b   9.1415
_cell_length_c   5.2334
_cell_angle_alpha   90.0011
_cell_angle_beta   110.0598
_cell_angle_gamma   89.9926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co2SbO6
_chemical_formula_sum   'Li6 Co4 Sb2 O12'
_cell_volume   238.2346
_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
  Li  Li0  1  1.0001  0.5000  0.4999  1
  Li  Li1  1  0.5001  0.0000  0.4999  1
  Li  Li2  1  0.9998  0.1727  0.4999  1
  Li  Li3  1  0.9998  0.8273  0.4999  1
  Li  Li4  1  0.4998  0.6727  0.4999  1
  Li  Li5  1  0.4998  0.3273  0.4999  1
  Co  Co6  1  -0.0000  0.3336  -0.0001  1
  Co  Co7  1  -0.0000  0.6664  -0.0001  1
  Co  Co8  1  0.5000  0.8336  -0.0001  1
  Co  Co9  1  0.5000  0.1664  -0.0001  1
  Sb  Sb10  1  0.0001  0.0000  0.0001  1
  Sb  Sb11  1  0.5001  0.5000  0.0001  1
  O  O12  1  0.7597  0.0000  0.2272  1
  O  O13  1  0.2403  -0.0000  0.7730  1
  O  O14  1  0.2597  0.5000  0.2272  1
  O  O15  1  0.7403  0.5000  0.7730  1
  O  O16  1  0.2351  0.1584  0.2343  1
  O  O17  1  0.7650  0.1583  0.7657  1
  O  O18  1  0.7650  0.8417  0.7658  1
  O  O19  1  0.2351  0.8417  0.2344  1
  O  O20  1  0.7351  0.6584  0.2343  1
  O  O21  1  0.2650  0.6583  0.7657  1
  O  O22  1  0.2650  0.3417  0.7658  1
  O  O23  1  0.7351  0.3417  0.2344  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/9d7f0baa-b517-41d2-a088-7fc8929fe760.cif?v=1787940596355
- Over Ouro MCP: `download_asset(id="8b8abe4c-0d77-4485-8770-78f701551350")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="8b8abe4c-0d77-4485-8770-78f701551350")`, then pass it as `input_assets={"file": "8b8abe4c-0d77-4485-8770-78f701551350"}`.
- From Python: `ouro.files.retrieve("8b8abe4c-0d77-4485-8770-78f701551350")`