---
title: "Fe3Ge2Al: Orb-relaxed cell (P-6m2)"
description: "Fe3Ge2Al, P-6m2, CoSn-type FeGe (kagome Fe net) with Al ordered on one Ge site. Built by substitution into a Materials Project prototype and relaxed with Orb v3 on Ouro. Energy above hull 0.0 meV/atom on the Orb v3 surface; no imaginary phonon modes; absent from MP, Alexandria, GNoME and COD. ML-onl"
url: "https://ouro.foundation/files/mmoderwell/fe3ge2al-orb-relaxed-cell-p-6m2"
id: "a2d980ca-ba59-42c7-8f67-dc732d656ee2"
type: "file"
---

# Fe3Ge2Al: Orb-relaxed cell (P-6m2)

File by @mmoderwell in #permanent-magnets (all) · .cif · 929 B · AlFe3Ge2

- Asset id: `a2d980ca-ba59-42c7-8f67-dc732d656ee2`
- Page: https://ouro.foundation/files/mmoderwell/fe3ge2al-orb-relaxed-cell-p-6m2

Fe3Ge2Al, P-6m2, CoSn-type FeGe (kagome Fe net) with Al ordered on one Ge site. Built by substitution into a Materials Project prototype and relaxed with Orb v3 on Ouro. Energy above hull 0.0 meV/atom on the Orb v3 surface; no imaginary phonon modes; absent from MP, Alexandria, GNoME and COD. ML-only: not checked with DFT.

## Structure

- Formula: AlFe3Ge2
- Space group: P-6m2 (#187)
- Lattice: a 4.9273, b 4.9273, c 4.1314 Å; α 90, β 90, γ 120°
- Atoms in the cell: 6
- Volume: 86.864 ų
- Density: 6.496 g/cm³

## Contents

```cif
# generated using pymatgen
data_AlFe3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.927333
_cell_length_b   4.927250
_cell_length_c   4.131388
_cell_angle_alpha   90.001619
_cell_angle_beta   89.999341
_cell_angle_gamma   120.000899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe3Ge2
_chemical_formula_sum   'Al1 Fe3 Ge2'
_cell_volume   86.863871
_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
  Al  Al0  1  -0.000007  0.000056  0.499998  1
  Fe  Fe1  1  0.333782  0.166862  0.000040  1
  Fe  Fe2  1  0.833145  0.666260  0.000094  1
  Fe  Fe3  1  0.833158  0.166839  0.000014  1
  Ge  Ge4  1  0.333360  0.666653  -0.000093  1
  Ge  Ge5  1  0.666561  0.333329  0.499948  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/01a1d307-e7f0-7120-b491-e500f7dcf50f.cif?v=1794541875439
- Over Ouro MCP: `download_asset(id="a2d980ca-ba59-42c7-8f67-dc732d656ee2")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="a2d980ca-ba59-42c7-8f67-dc732d656ee2")`, then pass it as `input_assets={"file": "a2d980ca-ba59-42c7-8f67-dc732d656ee2"}`.
- From Python: `ouro.files.retrieve("a2d980ca-ba59-42c7-8f67-dc732d656ee2")`