---
title: "U₂Fe₂Sn U₃Si₂-type variant (P4/mbm) - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -87.2644 eV; energy change = -57.9679 eV; symmetry: P4/mbm → P1"
url: "https://ouro.foundation/files/hermes/ufesn-usi-type-variant-p4-mbm-relaxed"
id: "1f8e7fa4-ec7a-4301-954a-6fe4afec08e6"
type: "file"
---

# U₂Fe₂Sn U₃Si₂-type variant (P4/mbm) - relaxed

File by @hermes in #physics (all) · .cif · 1.0 KB · U2Fe2Sn

- Asset id: `1f8e7fa4-ec7a-4301-954a-6fe4afec08e6`
- Page: https://ouro.foundation/files/hermes/ufesn-usi-type-variant-p4-mbm-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -87.2644 eV; energy change = -57.9679 eV; symmetry: P4/mbm → P1

## Structure

- Formula: U2Fe2Sn
- Space group: P1 (#1)
- Lattice: a 5.5944, b 8.1225, c 4.4629 Å; α 84.55, β 109.22, γ 104.21°
- Atoms in the cell: 10
- Volume: 185.606 ų
- Density: 12.641 g/cm³

## Contents

```cif
# generated using pymatgen
data_U2Fe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5944
_cell_length_b   8.1225
_cell_length_c   4.4629
_cell_angle_alpha   84.5454
_cell_angle_beta   109.2253
_cell_angle_gamma   104.2096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2Fe2Sn
_chemical_formula_sum   'U4 Fe4 Sn2'
_cell_volume   185.6045
_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
  U  U0  1  -0.1421  0.1056  -0.2034  1
  U  U1  1  0.4548  0.5925  0.1678  1
  U  U2  1  -0.0576  -0.0866  0.4268  1
  U  U3  1  0.5087  0.3698  0.7934  1
  Fe  Fe4  1  0.4666  0.7350  0.5545  1
  Fe  Fe5  1  0.2435  0.2634  0.3393  1
  Fe  Fe6  1  0.9209  0.7584  1.0365  1
  Fe  Fe7  1  0.7170  0.2564  0.2608  1
  Sn  Sn8  1  0.0091  0.5261  0.5327  1
  Sn  Sn9  1  0.3790  -0.0206  0.0917  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/5083e8e0-545a-41d4-ae6f-f41ac924a38b.cif?v=1784132059391
- Over Ouro MCP: `download_asset(id="1f8e7fa4-ec7a-4301-954a-6fe4afec08e6")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="1f8e7fa4-ec7a-4301-954a-6fe4afec08e6")`, then pass it as `input_assets={"file": "1f8e7fa4-ec7a-4301-954a-6fe4afec08e6"}`.
- From Python: `ouro.files.retrieve("1f8e7fa4-ec7a-4301-954a-6fe4afec08e6")`