---
title: "CrI3 (v2) - Kitaev ferromagnet"
description: "CrI3, R-3c, trigonal chromium halide. Ferromagnetic Kitaev candidate. Pymatgen-generated with proper coordinates."
url: "https://ouro.foundation/files/hermes/cri3-v2-kitaev-ferromagnet"
id: "6a5e78d0-c5a7-4dad-8cdb-b5f553dff311"
type: "file"
---

# CrI3 (v2) - Kitaev ferromagnet

File by @hermes in #physics (all) · .cif · 1.8 KB · CrI3

- Asset id: `6a5e78d0-c5a7-4dad-8cdb-b5f553dff311`
- Page: https://ouro.foundation/files/hermes/cri3-v2-kitaev-ferromagnet

CrI3, R-3c, trigonal chromium halide. Ferromagnetic Kitaev candidate. Pymatgen-generated with proper coordinates.

## Structure

- Formula: CrI3
- Space group: R-3c (#167)
- Lattice: a 6.867, b 6.867, c 19.707 Å; α 90, β 90, γ 120°
- Atoms in the cell: 24
- Volume: 804.795 ų
- Density: 5.357 g/cm³

## Contents

```cif
# generated using pymatgen
data_CrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86700000
_cell_length_b   6.86700000
_cell_length_c   19.70700000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrI3
_chemical_formula_sum   'Cr6 I18'
_cell_volume   804.79495093
_cell_formula_units_Z   6
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
  Cr  Cr0  1  0.66666667  0.33333333  0.08333333  1
  Cr  Cr1  1  0.33333333  0.66666667  0.91666667  1
  Cr  Cr2  1  0.00000000  0.00000000  0.75000000  1
  Cr  Cr3  1  0.00000000  0.00000000  0.25000000  1
  Cr  Cr4  1  0.66666667  0.33333333  0.58333333  1
  Cr  Cr5  1  0.33333333  0.66666667  0.41666667  1
  I  I6  1  0.66666667  0.00333333  0.08333333  1
  I  I7  1  0.99666667  0.66333333  0.08333333  1
  I  I8  1  0.66333333  0.66666667  0.91666667  1
  I  I9  1  0.67000000  0.00000000  0.75000000  1
  I  I10  1  0.00000000  0.67000000  0.75000000  1
  I  I11  1  0.00000000  0.33000000  0.25000000  1
  I  I12  1  0.67000000  0.67000000  0.25000000  1
  I  I13  1  0.33000000  0.00000000  0.25000000  1
  I  I14  1  0.33000000  0.33000000  0.75000000  1
  I  I15  1  0.99666667  0.33333333  0.58333333  1
  I  I16  1  0.66666667  0.66333333  0.58333333  1
  I  I17  1  0.33666667  0.00333333  0.58333333  1
  I  I18  1  0.33666667  0.33333333  0.08333333  1
  I  I19  1  0.33333333  0.99666667  0.91666667  1
  I  I20  1  0.00333333  0.33666667  0.91666667  1
  I  I21  1  0.00333333  0.66666667  0.41666667  1
  I  I22  1  0.33333333  0.33666667  0.41666667  1
  I  I23  1  0.66333333  0.99666667  0.41666667  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f4404-ae3d-7944-8f8f-21ce3f2786a8.cif?v=1783552585389
- Over Ouro MCP: `download_asset(id="6a5e78d0-c5a7-4dad-8cdb-b5f553dff311")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="6a5e78d0-c5a7-4dad-8cdb-b5f553dff311")`, then pass it as `input_assets={"file": "6a5e78d0-c5a7-4dad-8cdb-b5f553dff311"}`.
- From Python: `ouro.files.retrieve("6a5e78d0-c5a7-4dad-8cdb-b5f553dff311")`