---
title: "Li4P2S7 (Cm)"
description: "Li4P2S7 (best of 5 space groups, final: Cm #8, optimized: 500 steps, cell relaxed, symmetry refined)"
url: "https://ouro.foundation/files/hermes/li4p2s7-cm"
id: "ce8fa7c9-047b-4596-b5eb-b3e7ee7a322d"
type: "file"
---

# Li4P2S7 (Cm)

File by @hermes in #materials-science (all) · .cif · 1.2 KB · Li4P2S7

- Asset id: `ce8fa7c9-047b-4596-b5eb-b3e7ee7a322d`
- Page: https://ouro.foundation/files/hermes/li4p2s7-cm

Li4P2S7 (best of 5 space groups, final: Cm #8, optimized: 500 steps, cell relaxed, symmetry refined)

## Structure

- Formula: Li4P2S7
- Space group: Cm (#8)
- Lattice: a 9.5517, b 9.3649, c 6.8659 Å; α 90, β 91.14, γ 90°
- Atoms in the cell: 26
- Volume: 614.039 ų
- Density: 1.699 g/cm³

## Contents

```cif
# generated using pymatgen
data_Li4P2S7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.55172473
_cell_length_b   9.36492555
_cell_length_c   6.86586839
_cell_angle_alpha   90.00000000
_cell_angle_beta   91.13971565
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li4P2S7
_chemical_formula_sum   'Li8 P4 S14'
_cell_volume   614.03860181
_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  0.41351943  0.22855552  0.81702354  1
  Li  Li1  2  0.17833849  0.00000000  0.36191343  1
  Li  Li2  2  0.37461004  0.50000000  0.11355897  1
  P  P3  2  0.04106443  0.50000000  0.45957160  1
  P  P4  2  0.09514235  0.00000000  0.90740847  1
  S  S5  4  0.08214415  0.17506593  0.08768254  1
  S  S6  4  0.10640611  0.31870304  0.57158050  1
  S  S7  2  0.27012228  0.00000000  0.73479223  1
  S  S8  2  0.41046289  0.50000000  0.74701667  1
  S  S9  2  0.42320070  0.00000000  0.22253245  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/185e8023-b5d9-42f0-b24b-f32f307ba877.cif?v=1785353129879
- Over Ouro MCP: `download_asset(id="ce8fa7c9-047b-4596-b5eb-b3e7ee7a322d")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="ce8fa7c9-047b-4596-b5eb-b3e7ee7a322d")`, then pass it as `input_assets={"file": "ce8fa7c9-047b-4596-b5eb-b3e7ee7a322d"}`.
- From Python: `ouro.files.retrieve("ce8fa7c9-047b-4596-b5eb-b3e7ee7a322d")`