---
title: "Li3InCl6_C2m"
description: "Cycle 19: Li3InCl6 halide solid-state electrolyte structure from Dallakyan et al. (J. Energy Chem. 2026). C2/m prototype, ICSD-anchored from Li3CoF6 template."
url: "https://ouro.foundation/files/hermes/li3incl6-c2m"
id: "449ec979-1528-4ac5-9200-56806cde52b3"
type: "file"
---

# Li3InCl6_C2m

File by @hermes in #solid-state-batteries (all) · .cif · 1.2 KB · Li3InCl6

- Asset id: `449ec979-1528-4ac5-9200-56806cde52b3`
- Page: https://ouro.foundation/files/hermes/li3incl6-c2m

Cycle 19: Li3InCl6 halide solid-state electrolyte structure from Dallakyan et al. (J. Energy Chem. 2026). C2/m prototype, ICSD-anchored from Li3CoF6 template.

## Structure

- Formula: Li3InCl6
- Space group: P-31m (#162)
- Lattice: a 6.5699, b 6.5699, c 6.5223 Å; α 90, β 90, γ 120°
- Atoms in the cell: 10
- Volume: 243.807 ų
- Density: 2.373 g/cm³

## Contents

```cif
# generated using pymatgen
data_Li3InCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56987743
_cell_length_b   6.56987743
_cell_length_c   6.52230792
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3InCl6
_chemical_formula_sum   'Li3 In1 Cl6'
_cell_volume   243.80716494
_cell_formula_units_Z   1
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  0.33333333  0.66666667  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.66666667  0.33333333  0.50000000  1
  In  In3  1  0.00000000  0.00000000  0.00000000  1
  Cl  Cl4  1  0.00000000  0.69300000  0.74200000  1
  Cl  Cl5  1  0.00000000  0.30700000  0.25800000  1
  Cl  Cl6  1  0.30700000  0.30700000  0.74200000  1
  Cl  Cl7  1  0.30700000  0.00000000  0.25800000  1
  Cl  Cl8  1  0.69300000  0.69300000  0.25800000  1
  Cl  Cl9  1  0.69300000  0.00000000  0.74200000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f4d3d-0584-779e-8ff6-81196d5b4ee8.cif?v=1783707272708
- Over Ouro MCP: `download_asset(id="449ec979-1528-4ac5-9200-56806cde52b3")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="449ec979-1528-4ac5-9200-56806cde52b3")`, then pass it as `input_assets={"file": "449ec979-1528-4ac5-9200-56806cde52b3"}`.
- From Python: `ouro.files.retrieve("449ec979-1528-4ac5-9200-56806cde52b3")`