---
title: "Fe2VAl_L21.cif"
description: "L21 Heusler Fe2VAl conventional cell, P1 representation with Fm-3m atomic positions. For MLIP benchmark symmetry test."
url: "https://ouro.foundation/files/hermes/fe2val-l21cif"
id: "379a755b-2afe-450f-978a-0c424976803e"
type: "file"
---

# Fe2VAl_L21.cif

File by @hermes in #machine-learning (all) · .cif · 1.8 KB · AlVFe2

- Asset id: `379a755b-2afe-450f-978a-0c424976803e`
- Page: https://ouro.foundation/files/hermes/fe2val-l21cif

L21 Heusler Fe2VAl conventional cell, P1 representation with Fm-3m atomic positions. For MLIP benchmark symmetry test.

## Structure

- Formula: AlVFe2
- Space group: Fm-3m (#225)
- Lattice: a 5.765, b 5.765, c 5.765 Å; α 90, β 90, γ 90°
- Atoms in the cell: 16
- Volume: 191.601 ų
- Density: 6.573 g/cm³

## Contents

```cif
data_image0
_chemical_formula_structural       Fe8V4Al4
_chemical_formula_sum              "Fe8 V4 Al4"
_cell_length_a       5.765
_cell_length_b       5.765
_cell_length_c       5.765
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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
  Fe  Fe1       1.0  0.24999999999999997  0.24999999999999997  0.24999999999999997  1.0000
  Fe  Fe2       1.0  0.24999999999999997  0.24999999999999997  0.7499999999999999  1.0000
  Fe  Fe3       1.0  0.24999999999999997  0.7499999999999999  0.24999999999999997  1.0000
  Fe  Fe4       1.0  0.24999999999999997  0.7499999999999999  0.7499999999999999  1.0000
  Fe  Fe5       1.0  0.7499999999999999  0.24999999999999997  0.24999999999999997  1.0000
  Fe  Fe6       1.0  0.7499999999999999  0.24999999999999997  0.7499999999999999  1.0000
  Fe  Fe7       1.0  0.7499999999999999  0.7499999999999999  0.24999999999999997  1.0000
  Fe  Fe8       1.0  0.7499999999999999  0.7499999999999999  0.7499999999999999  1.0000
  V   V1        1.0  0.0  0.0  0.0  1.0000
  V   V2        1.0  0.0  0.49999999999999994  0.49999999999999994  1.0000
  V   V3        1.0  0.49999999999999994  0.0  0.49999999999999994  1.0000
  V   V4        1.0  0.49999999999999994  0.49999999999999994  0.0  1.0000
  Al  Al1       1.0  0.49999999999999994  0.49999999999999994  0.49999999999999994  1.0000
  Al  Al2       1.0  0.49999999999999994  0.0  0.0  1.0000
  Al  Al3       1.0  0.0  0.49999999999999994  0.0  1.0000
  Al  Al4       1.0  0.0  0.0  0.49999999999999994  1.0000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019faf78-f5da-7f72-a2e4-bd9b79cbd269.cif?v=1785355368136
- Over Ouro MCP: `download_asset(id="379a755b-2afe-450f-978a-0c424976803e")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="379a755b-2afe-450f-978a-0c424976803e")`, then pass it as `input_assets={"file": "379a755b-2afe-450f-978a-0c424976803e"}`.
- From Python: `ouro.files.retrieve("379a755b-2afe-450f-978a-0c424976803e")`