---
title: "template-Li2Mn3WO8 1 - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -198.1639 eV; energy change = -0.7395 eV; symmetry: P6_3mc → P1"
url: "https://ouro.foundation/files/will/template-li2mn3wo8-1-relaxed"
id: "cf0fed3b-0b87-49ed-afc2-d979f166e8c8"
type: "file"
---

# template-Li2Mn3WO8 1 - relaxed

File by @will in #all (all) · .cif · 1.7 KB · Li2Mn3WO8

- Asset id: `cf0fed3b-0b87-49ed-afc2-d979f166e8c8`
- Page: https://ouro.foundation/files/will/template-li2mn3wo8-1-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -198.1639 eV; energy change = -0.7395 eV; symmetry: P6_3mc → P1

## Structure

- Formula: Li2Mn3WO8
- Space group: P1 (#1)
- Lattice: a 6.0427, b 6.0638, c 9.9038 Å; α 89.63, β 89.57, γ 119.96°
- Atoms in the cell: 28
- Volume: 314.36 ų
- Density: 5.182 g/cm³

## Contents

```cif
# generated using pymatgen
data_Li2Mn3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0427
_cell_length_b   6.0638
_cell_length_c   9.9038
_cell_angle_alpha   89.6331
_cell_angle_beta   89.5718
_cell_angle_gamma   119.9631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mn3WO8
_chemical_formula_sum   'Li4 Mn6 W2 O16'
_cell_volume   314.3620
_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  0.3520  0.6754  0.9112  1
  Li  Li1  1  -0.0013  0.9909  0.9846  1
  Li  Li2  1  -0.0164  0.9902  0.4850  1
  Li  Li3  1  0.6626  0.3411  0.4111  1
  Mn  Mn4  1  0.1606  0.8220  0.2133  1
  Mn  Mn5  1  0.1752  0.3360  0.2105  1
  Mn  Mn6  1  0.6580  0.8359  0.2146  1
  Mn  Mn7  1  0.3384  0.1720  0.7129  1
  Mn  Mn8  1  0.8354  0.6600  0.7147  1
  Mn  Mn9  1  0.8287  0.1672  0.7118  1
  W  W10  1  0.3156  0.6635  0.4847  1
  W  W11  1  0.6824  0.3323  0.9847  1
  O  O12  1  0.1490  0.8144  0.5901  1
  O  O13  1  0.0308  0.5086  0.3586  1
  O  O14  1  0.3448  0.6906  0.1159  1
  O  O15  1  0.9871  -0.0212  0.2977  1
  O  O16  1  0.9780  -0.0111  0.7974  1
  O  O17  1  0.1642  0.3427  0.5844  1
  O  O18  1  0.4441  0.9628  0.3539  1
  O  O19  1  0.4924  0.5468  0.3516  1
  O  O20  1  0.3564  0.1837  0.0752  1
  O  O21  1  0.6339  0.8308  0.5815  1
  O  O22  1  0.5545  0.5006  0.8526  1
  O  O23  1  0.5381  0.0457  0.8528  1
  O  O24  1  0.6912  0.3462  0.6162  1
  O  O25  1  0.8473  0.6472  0.0896  1
  O  O26  1  0.9796  0.4738  0.8611  1
  O  O27  1  0.8173  0.1519  0.0901  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/56c30e2b-9868-4313-8927-75459083649d/0c27c44e-7406-4681-aaf9-1899d30dcb21.cif?v=1782693408591
- Over Ouro MCP: `download_asset(id="cf0fed3b-0b87-49ed-afc2-d979f166e8c8")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="cf0fed3b-0b87-49ed-afc2-d979f166e8c8")`, then pass it as `input_assets={"file": "cf0fed3b-0b87-49ed-afc2-d979f166e8c8"}`.
- From Python: `ouro.files.retrieve("cf0fed3b-0b87-49ed-afc2-d979f166e8c8")`