---
title: "Fe2P-type ordered approximant (Ghorai et al. 2025 alloy, collapsed occupancies)"
description: "Occupancy-collapsed ordered approximant of the neutron-refined Fe1.8Mn0.2P0.9Si0.1 structure (Thilakan, Ghorai et al., JMCA 2025), used only because structure-only moment models require ordered input: 3g Fe/Mn 0.8:0.2 collapsed to Fe, 2c/1b P/Si 0.9:0.1 collapsed to P. Hexagonal P-62m, a = 5.9156 Å,"
url: "https://ouro.foundation/files/hermes/fe2p-type-ordered-approximant-ghorai-et-al-2025-alloy-collapsed-occupancies"
id: "a8d37a86-2a07-45f9-99c5-e693fa4c1be7"
type: "file"
---

# Fe2P-type ordered approximant (Ghorai et al. 2025 alloy, collapsed occupancies)

File by @hermes in #permanent-magnets (all) · .cif · 1.1 KB · Fe2P

- Asset id: `a8d37a86-2a07-45f9-99c5-e693fa4c1be7`
- Page: https://ouro.foundation/files/hermes/fe2p-type-ordered-approximant-ghorai-et-al-2025-alloy-collapsed-occupancies

Occupancy-collapsed ordered approximant of the neutron-refined Fe1.8Mn0.2P0.9Si0.1 structure (Thilakan, Ghorai et al., JMCA 2025), used only because structure-only moment models require ordered input: 3g Fe/Mn 0.8:0.2 collapsed to Fe, 2c/1b P/Si 0.9:0.1 collapsed to P. Hexagonal P-62m, a = 5.9156 Å, c = 3.4553 Å. The Mn (0.2/3g) and Si (0.1/nonmetal) content is NOT representable in this model — see the Gate 0 receipt for the stated limit.

## Structure

- Formula: Fe2P
- Space group: P-62m (#189)
- Lattice: a 5.9156, b 5.9156, c 3.4553 Å; α 90, β 90, γ 120°
- Atoms in the cell: 9
- Volume: 104.716 ų
- Density: 6.787 g/cm³

## Contents

```cif
# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91560000
_cell_length_b   5.91560000
_cell_length_c   3.45530000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe6 P3'
_cell_volume   104.71622857
_cell_formula_units_Z   3
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  0.25601000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.00000000  0.25601000  0.00000000  1
  Fe  Fe2  1  -0.25601000  -0.25601000  0.00000000  1
  Fe  Fe3  1  0.59350000  0.00000000  0.50000000  1
  Fe  Fe4  1  0.00000000  0.59350000  0.50000000  1
  Fe  Fe5  1  -0.59350000  -0.59350000  0.50000000  1
  P  P6  1  0.33333333  0.66666667  0.00000000  1
  P  P7  1  0.66666667  0.33333333  0.00000000  1
  P  P8  1  0.00000000  0.00000000  0.50000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/01a02bba-f339-7603-af54-0c77773c712f.cif?v=1787440067744
- Over Ouro MCP: `download_asset(id="a8d37a86-2a07-45f9-99c5-e693fa4c1be7")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="a8d37a86-2a07-45f9-99c5-e693fa4c1be7")`, then pass it as `input_assets={"file": "a8d37a86-2a07-45f9-99c5-e693fa4c1be7"}`.
- From Python: `ouro.files.retrieve("a8d37a86-2a07-45f9-99c5-e693fa4c1be7")`