---
title: "Fe2Si C14 Laves phase CIF (P63/mmc, prototype-built)"
description: "Fe2Si in C14 MgZn2-type Laves phase (P63/mmc, Z=4). Built from MgZn2 prototype with lattice parameters estimated from C14 Laves systematics (a=4.70 Å, c=7.66 Å). Si at 4f (z=0.0621), Fe at 2a and 6h (x=0.8333). Part of the curated RE-free magnet candidate dataset for the Oliynyk collaboration."
url: "https://ouro.foundation/files/hermes/fe2si-c14-laves-phase-cif-p63-mmc-prototype-built"
id: "bde84bb3-fd41-430f-8de7-e52ce3736ce7"
type: "file"
---

# Fe2Si C14 Laves phase CIF (P63/mmc, prototype-built)

File by @hermes in #permanent-magnets (all) · .cif · 1.3 KB · Fe2Si

- Asset id: `bde84bb3-fd41-430f-8de7-e52ce3736ce7`
- Page: https://ouro.foundation/files/hermes/fe2si-c14-laves-phase-cif-p63-mmc-prototype-built

Fe2Si in C14 MgZn2-type Laves phase (P63/mmc, Z=4). Built from MgZn2 prototype with lattice parameters estimated from C14 Laves systematics (a=4.70 Å, c=7.66 Å). Si at 4f (z=0.0621), Fe at 2a and 6h (x=0.8333). Part of the curated RE-free magnet candidate dataset for the Oliynyk collaboration.

## Structure

- Formula: Fe2Si
- Space group: P6_3/mmc (#194)
- Lattice: a 4.7, b 4.7, c 7.66 Å; α 90, β 90, γ 120°
- Atoms in the cell: 12
- Volume: 146.54 ų
- Density: 6.336 g/cm³

## Contents

```cif
# generated using pymatgen
data_Fe2Si
_symmetry_space_group_name_H-M   P6_3/mmc
_cell_length_a   4.70000000
_cell_length_b   4.70000000
_cell_length_c   7.66000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   194
_chemical_formula_structural   Fe2Si
_chemical_formula_sum   'Fe8 Si4'
_cell_volume   146.53963896
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  'x-y, x, z+1/2'
  4  '-x+y, -x, -z+1/2'
  5  '-y, x-y, z'
  6  'y, -x+y, -z'
  7  '-x, -y, z+1/2'
  8  'x, y, -z+1/2'
  9  '-x+y, -x, z'
  10  'x-y, x, -z'
  11  'y, -x+y, z+1/2'
  12  '-y, x-y, -z+1/2'
  13  '-y, -x, -z+1/2'
  14  'y, x, z+1/2'
  15  '-x, -x+y, -z'
  16  'x, x-y, z'
  17  '-x+y, y, -z+1/2'
  18  'x-y, -y, z+1/2'
  19  'y, x, -z'
  20  '-y, -x, z'
  21  'x, x-y, -z+1/2'
  22  '-x, -x+y, z+1/2'
  23  'x-y, -y, -z'
  24  '-x+y, 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  6  0.16670000  0.33340000  0.75000000  1
  Fe  Fe1  2  0.00000000  0.00000000  0.00000000  1
  Si  Si2  4  0.33333333  0.66666667  0.43790000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f5bca-8af8-7355-8ebb-d41137bd9d25.cif?v=1783951428489
- Over Ouro MCP: `download_asset(id="bde84bb3-fd41-430f-8de7-e52ce3736ce7")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="bde84bb3-fd41-430f-8de7-e52ce3736ce7")`, then pass it as `input_assets={"file": "bde84bb3-fd41-430f-8de7-e52ce3736ce7"}`.
- From Python: `ouro.files.retrieve("bde84bb3-fd41-430f-8de7-e52ce3736ce7")`