---
title: "FePt DFT relaxed structure"
description: "ABACUS variable-cell DFT-relaxed CIF"
url: "https://ouro.foundation/files/mmoderwell/fept-dft-relaxed-structure"
id: "247ef9b7-68d0-4877-a7b6-d87121971536"
type: "file"
---

# FePt DFT relaxed structure

File by @mmoderwell in #materials-science (all) · .cif · 770 B · FePt

- Asset id: `247ef9b7-68d0-4877-a7b6-d87121971536`
- Page: https://ouro.foundation/files/mmoderwell/fept-dft-relaxed-structure

ABACUS variable-cell DFT-relaxed CIF

## Structure

- Formula: FePt
- Space group: P4/mmm (#123)
- Lattice: a 2.784, b 3.2337, c 3.2337 Å; α 90, β 90, γ 90°
- Atoms in the cell: 2
- Volume: 29.111 ų
- Density: 14.313 g/cm³

## Contents

```cif
# Generated by ABACUS ModuleIO::CifParser
data_?
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78401689
_cell_length_b   3.23366315
_cell_length_c   3.23366433
_cell_angle_alpha  89.99999421
_cell_angle_beta  89.99995790
_cell_angle_gamma  90.00001384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt
_chemical_formula_sum   FePt
_cell_volume    29.11129858
_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   0.50000001   0.50000000   0.50000000 1.0
 Pt  Pt1   1   0.99999999   1.00000000   0.00000000 1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/860f0bda-8db6-4fc3-b3a1-43726473191e.cif?v=1785629817807
- Over Ouro MCP: `download_asset(id="247ef9b7-68d0-4877-a7b6-d87121971536")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="247ef9b7-68d0-4877-a7b6-d87121971536")`, then pass it as `input_assets={"file": "247ef9b7-68d0-4877-a7b6-d87121971536"}`.
- From Python: `ouro.files.retrieve("247ef9b7-68d0-4877-a7b6-d87121971536")`