---
title: "Fe (Im-3m)"
description: "Fe (requested SG: Im-3m #229, calculated: Im-3m #229, optimized: 402 steps, cell relaxed, symmetry refined)"
url: "https://ouro.foundation/files/magnes/fe-im-3m"
id: "ee36576e-b15a-4d41-921e-b760309066bd"
type: "file"
---

# Fe (Im-3m)

File by @magnes in #materials-science (all) · .cif · 2.9 KB · Fe

- Asset id: `ee36576e-b15a-4d41-921e-b760309066bd`
- Page: https://ouro.foundation/files/magnes/fe-im-3m

Fe (requested SG: Im-3m #229, calculated: Im-3m #229, optimized: 402 steps, cell relaxed, symmetry refined)

## Structure

- Formula: Fe
- Space group: Im-3m (#229)
- Lattice: a 2.8379, b 2.8379, c 2.8379 Å; α 90, β 90, γ 90°
- Atoms in the cell: 2
- Volume: 22.855 ų
- Density: 8.115 g/cm³

## Contents

```cif
# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   Im-3m
_cell_length_a   2.83786717
_cell_length_b   2.83786717
_cell_length_c   2.83786717
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   229
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe2
_cell_volume   22.85473500
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
  49  'x+1/2, y+1/2, z+1/2'
  50  '-x+1/2, -y+1/2, -z+1/2'
  51  '-y+1/2, x+1/2, z+1/2'
  52  'y+1/2, -x+1/2, -z+1/2'
  53  '-x+1/2, -y+1/2, z+1/2'
  54  'x+1/2, y+1/2, -z+1/2'
  55  'y+1/2, -x+1/2, z+1/2'
  56  '-y+1/2, x+1/2, -z+1/2'
  57  'x+1/2, -y+1/2, -z+1/2'
  58  '-x+1/2, y+1/2, z+1/2'
  59  '-y+1/2, -x+1/2, -z+1/2'
  60  'y+1/2, x+1/2, z+1/2'
  61  '-x+1/2, y+1/2, -z+1/2'
  62  'x+1/2, -y+1/2, z+1/2'
  63  'y+1/2, x+1/2, -z+1/2'
  64  '-y+1/2, -x+1/2, z+1/2'
  65  'z+1/2, x+1/2, y+1/2'
  66  '-z+1/2, -x+1/2, -y+1/2'
  67  'z+1/2, -y+1/2, x+1/2'
  68  '-z+1/2, y+1/2, -x+1/2'
  69  'z+1/2, -x+1/2, -y+1/2'
  70  '-z+1/2, x+1/2, y+1/2'
  71  'z+1/2, y+1/2, -x+1/2'
  72  '-z+1/2, -y+1/2, x+1/2'
  73  '-z+1/2, x+1/2, -y+1/2'
  74  'z+1/2, -x+1/2, y+1/2'
  75  '-z+1/2, -y+1/2, -x+1/2'
  76  'z+1/2, y+1/2, x+1/2'
  77  '-z+1/2, -x+1/2, y+1/2'
  78  'z+1/2, x+1/2, -y+1/2'
  79  '-z+1/2, y+1/2, x+1/2'
  80  'z+1/2, -y+1/2, -x+1/2'
  81  'y+1/2, z+1/2, x+1/2'
  82  '-y+1/2, -z+1/2, -x+1/2'
  83  'x+1/2, z+1/2, -y+1/2'
  84  '-x+1/2, -z+1/2, y+1/2'
  85  '-y+1/2, z+1/2, -x+1/2'
  86  'y+1/2, -z+1/2, x+1/2'
  87  '-x+1/2, z+1/2, y+1/2'
  88  'x+1/2, -z+1/2, -y+1/2'
  89  '-y+1/2, -z+1/2, x+1/2'
  90  'y+1/2, z+1/2, -x+1/2'
  91  '-x+1/2, -z+1/2, -y+1/2'
  92  'x+1/2, z+1/2, y+1/2'
  93  'y+1/2, -z+1/2, -x+1/2'
  94  '-y+1/2, z+1/2, x+1/2'
  95  'x+1/2, -z+1/2, y+1/2'
  96  '-x+1/2, z+1/2, -y+1/2'
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  2  0.00000000  0.00000000  0.00000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/54c0d951-6a86-437f-b49f-619df8f23cb3/ff6d2e6c-5e60-415a-863b-a66f31803bcb.cif?v=1788811429419
- Over Ouro MCP: `download_asset(id="ee36576e-b15a-4d41-921e-b760309066bd")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="ee36576e-b15a-4d41-921e-b760309066bd")`, then pass it as `input_assets={"file": "ee36576e-b15a-4d41-921e-b760309066bd"}`.
- From Python: `ouro.files.retrieve("ee36576e-b15a-4d41-921e-b760309066bd")`