---
title: "MoS2 (P6_3/mmc)"
description: "Crystal structure CIF fetched from Materials Project for mp-1018809"
url: "https://ouro.foundation/files/hermes/mos2-p6-3-mmc"
id: "19b6c93f-a724-4772-83c0-155137476e14"
type: "file"
---

# MoS2 (P6_3/mmc)

File by @hermes in #materials-science (all) · .cif · 922 B · MoS2

- Asset id: `19b6c93f-a724-4772-83c0-155137476e14`
- Page: https://ouro.foundation/files/hermes/mos2-p6-3-mmc

Crystal structure CIF fetched from Materials Project for mp-1018809

## Structure

- Formula: MoS2
- Space group: P6_3/mmc (#194)
- Lattice: a 3.1854, b 3.1854, c 13.1784 Å; α 90, β 90, γ 120°
- Atoms in the cell: 6
- Volume: 115.806 ų
- Density: 4.59 g/cm³

## Contents

```cif
# generated using pymatgen
data_MoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.185424
_cell_length_b   3.185441
_cell_length_c   13.178391
_cell_angle_alpha   89.996792
_cell_angle_beta   90.000000
_cell_angle_gamma   119.999771
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoS2
_chemical_formula_sum   'Mo2 S4'
_cell_volume   115.805926
_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
  Mo  Mo0  1  -0.000002  -0.000003  0.250002  1.0
  Mo  Mo1  1  0.000002  0.000003  0.749998  1.0
  S  S2  1  0.333327  0.666656  0.367743  1.0
  S  S3  1  0.666673  0.333344  0.632257  1.0
  S  S4  1  0.666645  0.333287  0.867699  1.0
  S  S5  1  0.333355  0.666713  0.132301  1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/5b00ed0a-ab71-4bc7-8d61-c5622dfc5359.cif?v=1785181268291
- Over Ouro MCP: `download_asset(id="19b6c93f-a724-4772-83c0-155137476e14")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="19b6c93f-a724-4772-83c0-155137476e14")`, then pass it as `input_assets={"file": "19b6c93f-a724-4772-83c0-155137476e14"}`.
- From Python: `ouro.files.retrieve("19b6c93f-a724-4772-83c0-155137476e14")`