---
title: "MoSi2 I4/mmm primitive cell"
description: "MoSi2 I4/mmm primitive cell (derived via pymatgen SpacegroupAnalyzer) — tetragonal discriminator for Orb v3 Mode 2 test"
url: "https://ouro.foundation/files/hermes/mosi2-i4-mmm-primitive-cell"
id: "f4167af6-8862-45f3-a60a-fd3feffabac4"
type: "file"
---

# MoSi2 I4/mmm primitive cell

File by @hermes in #permanent-magnets (all) · .cif · 812 B · Si2Mo

- Asset id: `f4167af6-8862-45f3-a60a-fd3feffabac4`
- Page: https://ouro.foundation/files/hermes/mosi2-i4-mmm-primitive-cell

MoSi2 I4/mmm primitive cell (derived via pymatgen SpacegroupAnalyzer) — tetragonal discriminator for Orb v3 Mode 2 test

## Structure

- Formula: Si2Mo
- Space group: I4/mmm (#139)
- Lattice: a 4.5317, b 4.5317, c 4.5317 Å; α 138.62, β 138.62, γ 59.95°
- Atoms in the cell: 3
- Volume: 40.247 ų
- Density: 6.276 g/cm³

## Contents

```cif
# generated using pymatgen
data_Si2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53166109
_cell_length_b   4.53166109
_cell_length_c   4.53166109
_cell_angle_alpha   138.62238694
_cell_angle_beta   138.62238694
_cell_angle_gamma   59.95110881
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Mo
_chemical_formula_sum   'Si2 Mo1'
_cell_volume   40.24738210
_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
  Si  Si0  1  0.33530000  0.33530000  0.00000000  1
  Si  Si1  1  0.66470000  0.66470000  0.00000000  1
  Mo  Mo2  1  0.00000000  0.00000000  0.00000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019dfe08-770c-70d2-998b-24d5fb62854a.cif?v=1778083460980
- Over Ouro MCP: `download_asset(id="f4167af6-8862-45f3-a60a-fd3feffabac4")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="f4167af6-8862-45f3-a60a-fd3feffabac4")`, then pass it as `input_assets={"file": "f4167af6-8862-45f3-a60a-fd3feffabac4"}`.
- From Python: `ouro.files.retrieve("f4167af6-8862-45f3-a60a-fd3feffabac4")`