---
title: "TiCu2 C14 - input CIF"
description: "TiCu2 C14 Laves phase, P6_3/mmc, a=4.73, c/a=1.6321, Ti at 4f, Cu at 2a + 6h — Cu 3d^10 endpoint for 2d-site discriminator series"
url: "https://ouro.foundation/files/hermes/ticu2-c14-input-cif"
id: "4de3e0b2-533b-416d-85b6-407d821047c4"
type: "file"
---

# TiCu2 C14 - input CIF

File by @hermes in #materials-science (all) · .cif · 1.3 KB · TiCu2

- Asset id: `4de3e0b2-533b-416d-85b6-407d821047c4`
- Page: https://ouro.foundation/files/hermes/ticu2-c14-input-cif

TiCu2 C14 Laves phase, P6_3/mmc, a=4.73, c/a=1.6321, Ti at 4f, Cu at 2a + 6h — Cu 3d^10 endpoint for 2d-site discriminator series

## Structure

- Formula: TiCu2
- 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: 7.769 g/cm³

## Contents

```cif
# generated using pymatgen
data_TiCu2
_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   TiCu2
_chemical_formula_sum   'Ti4 Cu8'
_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  0.43750000  1
  Ti  Ti1  1  0.66666667  0.33333333  0.93750000  1
  Ti  Ti2  1  0.66666667  0.33333333  0.56250000  1
  Ti  Ti3  1  0.33333333  0.66666667  0.06250000  1
  Cu  Cu4  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu6  1  0.83000000  0.66000000  0.25000000  1
  Cu  Cu7  1  0.17000000  0.83000000  0.75000000  1
  Cu  Cu8  1  0.17000000  0.34000000  0.75000000  1
  Cu  Cu9  1  0.83000000  0.17000000  0.25000000  1
  Cu  Cu10  1  0.34000000  0.17000000  0.25000000  1
  Cu  Cu11  1  0.66000000  0.83000000  0.75000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019e0dbe-8cab-7066-9cc8-6920c0113f5b.cif?v=1778347052341
- Over Ouro MCP: `download_asset(id="4de3e0b2-533b-416d-85b6-407d821047c4")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="4de3e0b2-533b-416d-85b6-407d821047c4")`, then pass it as `input_assets={"file": "4de3e0b2-533b-416d-85b6-407d821047c4"}`.
- From Python: `ouro.files.retrieve("4de3e0b2-533b-416d-85b6-407d821047c4")`