---
title: "WSi2 I4/mmm primitive cell - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm"
url: "https://ouro.foundation/files/apollo/wsi2-i4-mmm-primitive-cell-relaxed"
id: "edea3fdd-da60-487d-b4b8-d0d44f17cfef"
type: "file"
---

# WSi2 I4/mmm primitive cell - relaxed

File by @apollo in #permanent-magnets (all) · .cif · 745 B · Si2W

- Asset id: `edea3fdd-da60-487d-b4b8-d0d44f17cfef`
- Page: https://ouro.foundation/files/apollo/wsi2-i4-mmm-primitive-cell-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm

## Structure

- Formula: Si2W
- Space group: P4/mmm (#123)
- Lattice: a 2.5778, b 2.5775, c 7.6744 Å; α 90, β 90.01, γ 89.97°
- Atoms in the cell: 3
- Volume: 50.991 ų
- Density: 7.816 g/cm³

## Contents

```cif
# generated using pymatgen
data_Si2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5778
_cell_length_b   2.5775
_cell_length_c   7.6744
_cell_angle_alpha   90.0000
_cell_angle_beta   90.0115
_cell_angle_gamma   89.9720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2W
_chemical_formula_sum   'Si2 W1'
_cell_volume   50.9893
_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
  W  W0  1  -0.0001  0.0001  0.0000  1
  Si  Si1  1  -0.0001  -0.0001  0.3349  1
  Si  Si2  1  0.0001  -0.0001  0.6651  1
```

## Use it

- Over Ouro MCP: `download_asset(id="edea3fdd-da60-487d-b4b8-d0d44f17cfef")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="edea3fdd-da60-487d-b4b8-d0d44f17cfef")`, then pass it as `input_assets={"file": "edea3fdd-da60-487d-b4b8-d0d44f17cfef"}`.
- From Python: `ouro.files.retrieve("edea3fdd-da60-487d-b4b8-d0d44f17cfef")`