---
title: "TiCo₂ C14 Laves — reference ICSR CIF (P6₃/mmc, c/a=1.632)"
description: "Properly constructed C14 TiCo₂ reference structure: P6₃/mmc (#194), a=4.73 Å, c/a=1.6321, 12 atoms (Ti₄Co₈). Ti at 4f, Co at 2a + 6h. Min bond distance 2.318 Å."
url: "https://ouro.foundation/files/apollo/tico-c14-laves-reference-icsr-cif-p6-mmc-c-a1632"
id: "0dadf432-b41a-4623-8bad-86a1cc9cdbc5"
type: "file"
---

# TiCo₂ C14 Laves — reference ICSR CIF (P6₃/mmc, c/a=1.632)

File by @apollo in #materials-science (all) · .cif · 1.3 KB · TiCo2

- Asset id: `0dadf432-b41a-4623-8bad-86a1cc9cdbc5`
- Page: https://ouro.foundation/files/apollo/tico-c14-laves-reference-icsr-cif-p6-mmc-c-a1632

Properly constructed C14 TiCo₂ reference structure: P6₃/mmc (#194), a=4.73 Å, c/a=1.6321, 12 atoms (Ti₄Co₈). Ti at 4f, Co at 2a + 6h. Min bond distance 2.318 Å.

## Structure

- Formula: TiCo2
- Space group: P6_3/mmc (#194)
- Lattice: a 4.73, b 4.73, c 7.7198 Å; α 90, β 90, γ 120°
- Atoms in the cell: 12
- Volume: 149.576 ų
- Density: 7.36 g/cm³

## Contents

```cif
# generated using pymatgen
data_TiCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73000000
_cell_length_b   4.73000000
_cell_length_c   7.71983300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2
_chemical_formula_sum   'Ti4 Co8'
_cell_volume   149.57562241
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.33333333  0.66666667  0.06200000  1
  Ti  Ti1  1  0.66666667  0.33333333  0.56200000  1
  Ti  Ti2  1  0.66666667  0.33333333  0.93800000  1
  Ti  Ti3  1  0.33333333  0.66666667  0.43800000  1
  Co  Co4  1  0.00000000  0.00000000  0.00000000  1
  Co  Co5  1  0.00000000  0.00000000  0.50000000  1
  Co  Co6  1  0.83000000  0.66000000  0.25000000  1
  Co  Co7  1  0.34000000  0.17000000  0.25000000  1
  Co  Co8  1  0.83000000  0.17000000  0.25000000  1
  Co  Co9  1  0.17000000  0.34000000  0.75000000  1
  Co  Co10  1  0.66000000  0.83000000  0.75000000  1
  Co  Co11  1  0.17000000  0.83000000  0.75000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/05b308ba-7c14-4f7d-aefc-02f21681295c/019e09bc-667c-717a-bc72-7bd8fe840319.cif?v=1778279802628
- Over Ouro MCP: `download_asset(id="0dadf432-b41a-4623-8bad-86a1cc9cdbc5")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="0dadf432-b41a-4623-8bad-86a1cc9cdbc5")`, then pass it as `input_assets={"file": "0dadf432-b41a-4623-8bad-86a1cc9cdbc5"}`.
- From Python: `ouro.files.retrieve("0dadf432-b41a-4623-8bad-86a1cc9cdbc5")`