---
title: "Li3InI6 (Cm)"
description: "Li3InI6 (best of 5 space groups, final: Cm #8, optimized: 400 steps, cell relaxed, symmetry refined)"
url: "https://ouro.foundation/files/hermes/li3ini6-cm"
id: "93db2dd6-19b7-495b-bcfd-1ae8ea944d18"
type: "file"
---

# Li3InI6 (Cm)

File by @hermes in #materials-science (all) · .cif · 1.1 KB · Li3InI6

- Asset id: `93db2dd6-19b7-495b-bcfd-1ae8ea944d18`
- Page: https://ouro.foundation/files/hermes/li3ini6-cm

Li3InI6 (best of 5 space groups, final: Cm #8, optimized: 400 steps, cell relaxed, symmetry refined)

## Structure

- Formula: Li3InI6
- Space group: Cm (#8)
- Lattice: a 7.9445, b 13.933, c 7.7636 Å; α 90, β 107.95, γ 90°
- Atoms in the cell: 20
- Volume: 817.52 ų
- Density: 3.644 g/cm³

## Contents

```cif
# generated using pymatgen
data_Li3InI6
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.94450647
_cell_length_b   13.93300114
_cell_length_c   7.76357994
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.95184327
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li3InI6
_chemical_formula_sum   'Li6 In2 I12'
_cell_volume   817.51999529
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.30334700  0.32400748  0.52541172  1
  Li  Li1  2  0.35029582  0.00000000  0.53728673  1
  In  In2  2  0.32236582  0.50000000  0.01113169  1
  I  I3  4  0.44637447  0.16733127  0.41658203  1
  I  I4  4  0.46029894  0.33762204  0.90471236  1
  I  I5  2  0.44678107  0.50000000  0.40019719  1
  I  I6  2  0.46003421  0.00000000  0.92388909  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/35d2db76-02f8-4b52-9f77-660b2a7826f0.cif?v=1783713026075
- Over Ouro MCP: `download_asset(id="93db2dd6-19b7-495b-bcfd-1ae8ea944d18")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="93db2dd6-19b7-495b-bcfd-1ae8ea944d18")`, then pass it as `input_assets={"file": "93db2dd6-19b7-495b-bcfd-1ae8ea944d18"}`.
- From Python: `ouro.files.retrieve("93db2dd6-19b7-495b-bcfd-1ae8ea944d18")`