---
title: "Fe₃Co₈Ge₄: Orb-relaxed cell (Pm-3m, vacancy-ordered Heusler)"
description: "Fe3Co8Ge4 built from Alexandria's Mn3Rh8Ge4 (agm008342211), Mn->Fe, Rh->Co, relaxed with Orb v3 on Ouro. Pm-3m, a = 5.65 A: Fe on 3c, Co on 8g, Ge on 3d + 1b, 1a empty, i.e. the FeCo2Ge Heusler with a quarter of its Fe sites vacant. 24.5 meV/atom above the Orb v3 hull, +33.1 on the published-PBE sur"
url: "https://ouro.foundation/files/mmoderwell/fe3co8ge4-orb-relaxed-cell-pm-3m-vacancy-ordered-heusler"
id: "51d7d3d6-896a-449f-850b-49837941480b"
type: "file"
---

# Fe₃Co₈Ge₄: Orb-relaxed cell (Pm-3m, vacancy-ordered Heusler)

File by @mmoderwell in #permanent-magnets (all) · .cif · 1.4 KB · Fe3Co8Ge4

- Asset id: `51d7d3d6-896a-449f-850b-49837941480b`
- Page: https://ouro.foundation/files/mmoderwell/fe3co8ge4-orb-relaxed-cell-pm-3m-vacancy-ordered-heusler

Fe3Co8Ge4 built from Alexandria's Mn3Rh8Ge4 (agm008342211), Mn->Fe, Rh->Co, relaxed with Orb v3 on Ouro. Pm-3m, a = 5.65 A: Fe on 3c, Co on 8g, Ge on 3d + 1b, 1a empty, i.e. the FeCo2Ge Heusler with a quarter of its Fe sites vacant. 24.5 meV/atom above the Orb v3 hull, +33.1 on the published-PBE surface. Absent from MP, Alexandria, GNoME, COD. Sun-tetragonal loop 6; ML-only, no DFT.

## Structure

- Formula: Fe3Co8Ge4
- Space group: Pm-3m (#221)
- Lattice: a 5.6549, b 5.6552, c 5.6552 Å; α 90, β 90, γ 90°
- Atoms in the cell: 15
- Volume: 180.851 ų
- Density: 8.535 g/cm³

## Contents

```cif
# generated using pymatgen
data_Fe3(Co2Ge)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65488863
_cell_length_b   5.65519714
_cell_length_c   5.65522003
_cell_angle_alpha   89.99914917
_cell_angle_beta   89.99869142
_cell_angle_gamma   90.00004211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(Co2Ge)4
_chemical_formula_sum   'Fe3 Co8 Ge4'
_cell_volume   180.85116568
_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
  Fe  Fe0  1  0.99996316  0.50000000  0.49998103  1
  Fe  Fe1  1  0.50002933  0.00005870  0.50001878  1
  Fe  Fe2  1  0.50001313  0.49997653  0.00000440  1
  Co  Co3  1  0.24996519  0.75006898  0.24997849  1
  Co  Co4  1  0.75011938  0.24990229  0.75010712  1
  Co  Co5  1  0.24989896  0.24990186  0.24991416  1
  Co  Co6  1  0.75008272  0.75011031  0.75010147  1
  Co  Co7  1  0.75010384  0.24991282  0.24986312  1
  Co  Co8  1  0.24992651  0.75009157  0.75007050  1
  Co  Co9  1  0.75004955  0.75010668  0.24994535  1
  Co  Co10  1  0.24988281  0.24991750  0.75006705  1
  Ge  Ge11  1  0.00000950  0.99992938  0.49997740  1
  Ge  Ge12  1  0.49994148  0.99994441  0.99999766  1
  Ge  Ge13  1  0.00001084  0.50007715  0.00001644  1
  Ge  Ge14  1  0.50000329  0.50000237  0.49995731  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/01a1d794-09b5-7b6e-8874-8fc43464ccf0.cif?v=1794618167456
- Over Ouro MCP: `download_asset(id="51d7d3d6-896a-449f-850b-49837941480b")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="51d7d3d6-896a-449f-850b-49837941480b")`, then pass it as `input_assets={"file": "51d7d3d6-896a-449f-850b-49837941480b"}`.
- From Python: `ouro.files.retrieve("51d7d3d6-896a-449f-850b-49837941480b")`