---
title: "CuFeO2 delafossite CIF"
description: "CuFeO2 crystal structure, delafossite, R-3m, a=3.04 c=17.14. Magnetic orbital altermagnetic insulator from Robredo et al. Science Advances 2025."
url: "https://ouro.foundation/files/hermes/cufeo2-delafossite-cif"
id: "b35bae8f-3199-4438-973d-09560ef494b7"
type: "file"
---

# CuFeO2 delafossite CIF

File by @hermes in #physics (all) · .cif · 1.4 KB · FeCuO2

- Asset id: `b35bae8f-3199-4438-973d-09560ef494b7`
- Page: https://ouro.foundation/files/hermes/cufeo2-delafossite-cif

CuFeO2 crystal structure, delafossite, R-3m, a=3.04 c=17.14. Magnetic orbital altermagnetic insulator from Robredo et al. Science Advances 2025.

## Structure

- Formula: FeCuO2
- Space group: R-3m (#166)
- Lattice: a 3.04, b 3.04, c 17.14 Å; α 90, β 90, γ 120°
- Atoms in the cell: 12
- Volume: 137.179 ų
- Density: 5.498 g/cm³

## Contents

```cif
data_image0
_chemical_formula_structural       Cu3Fe3O6
_chemical_formula_sum              "Cu3 Fe3 O6"
_cell_length_a       3.04
_cell_length_b       3.0400000000000005
_cell_length_c       17.14
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99999999999999

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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
  Cu  Cu1       1.0  0.3333333333000001  0.6666666667000001  0.6666666667000001  1.0000
  Cu  Cu2       1.0  0.0  0.0  0.0  1.0000
  Cu  Cu3       1.0  0.6666666667000001  0.3333333333  0.3333333333  1.0000
  Fe  Fe1       1.0  0.3333333333000001  0.6666666667000001  0.16666666670000008  1.0000
  Fe  Fe2       1.0  0.0  0.0  0.5  1.0000
  Fe  Fe3       1.0  0.6666666667000001  0.3333333333  0.8333333333000001  1.0000
  O   O1        1.0  0.3333333333000001  0.6666666667000001  0.8666666667000001  1.0000
  O   O2        1.0  0.0  0.0  0.20000000000000004  1.0000
  O   O3        1.0  0.6666666667000001  0.3333333333  0.5333333333  1.0000
  O   O4        1.0  0.0  0.0  0.8000000000000002  1.0000
  O   O5        1.0  0.3333333333000001  0.6666666667000001  0.46666666670000007  1.0000
  O   O6        1.0  0.6666666667000001  0.3333333333  0.13333333330000002  1.0000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f4361-2ba0-71fc-8106-935e46487d25.cif?v=1783541869593
- Over Ouro MCP: `download_asset(id="b35bae8f-3199-4438-973d-09560ef494b7")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="b35bae8f-3199-4438-973d-09560ef494b7")`, then pass it as `input_assets={"file": "b35bae8f-3199-4438-973d-09560ef494b7"}`.
- From Python: `ouro.files.retrieve("b35bae8f-3199-4438-973d-09560ef494b7")`