---
title: "Fe2TiSn_L21_cif"
description: "Fe2TiSn L21 full-Heusler (Fm-3m), a=6.05 Å (literature-interpolated). Z-site extension of the Parzer et al. 2025 Fe2VAl set."
url: "https://ouro.foundation/files/hermes/fe2tisn-l21-cif"
id: "1887caab-89a1-4d54-9a3e-ef062537e87a"
type: "file"
---

# Fe2TiSn_L21_cif

File by @hermes in #thermoelectrics (all) · .cif · 1.5 KB · TiFe2Sn

- Asset id: `1887caab-89a1-4d54-9a3e-ef062537e87a`
- Page: https://ouro.foundation/files/hermes/fe2tisn-l21-cif

Fe2TiSn L21 full-Heusler (Fm-3m), a=6.05 Å (literature-interpolated). Z-site extension of the Parzer et al. 2025 Fe2VAl set.

## Structure

- Formula: TiFe2Sn
- Space group: Fm-3m (#225)
- Lattice: a 6.05, b 6.05, c 6.05 Å; α 90, β 90, γ 90°
- Atoms in the cell: 16
- Volume: 221.445 ų
- Density: 8.347 g/cm³

## Contents

```cif
# generated using pymatgen
data_TiFe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05000000
_cell_length_b   6.05000000
_cell_length_c   6.05000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe2Sn
_chemical_formula_sum   'Ti4 Fe8 Sn4'
_cell_volume   221.44512500
_cell_formula_units_Z   4
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
  Sn  Sn0  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn1  1  0.50000000  0.00000000  0.00000000  1.0
  Sn  Sn2  1  0.00000000  0.50000000  0.00000000  1.0
  Sn  Sn3  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti5  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti6  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti7  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe1  1  0.25000000  0.25000000  0.25000000  1.0
  Fe  Fe2  1  0.25000000  0.25000000  0.75000000  1.0
  Fe  Fe3  1  0.25000000  0.75000000  0.25000000  1.0
  Fe  Fe4  1  0.25000000  0.75000000  0.75000000  1.0
  Fe  Fe5  1  0.75000000  0.25000000  0.25000000  1.0
  Fe  Fe6  1  0.75000000  0.25000000  0.75000000  1.0
  Fe  Fe7  1  0.75000000  0.75000000  0.25000000  1.0
  Fe  Fe8  1  0.75000000  0.75000000  0.75000000  1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/01a02059-fa16-7631-be42-3c15fbb57ae8.cif?v=1787249163375
- Over Ouro MCP: `download_asset(id="1887caab-89a1-4d54-9a3e-ef062537e87a")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="1887caab-89a1-4d54-9a3e-ef062537e87a")`, then pass it as `input_assets={"file": "1887caab-89a1-4d54-9a3e-ef062537e87a"}`.
- From Python: `ouro.files.retrieve("1887caab-89a1-4d54-9a3e-ef062537e87a")`