---
title: "TiCrSi C14 Laves reference CIF (a=4.73)"
description: "C14 MgZn2-type P6_3/mmc reference CIF for TiCrSi with Cr on 2d Wyckoff site. 12 atoms, a=4.730 Å, c/a=1.630, γ=120°. Part of the 2d-site discriminator extension: testing Cr (d⁴/d⁵) against the non-monotonic 3d collapse pattern."
url: "https://ouro.foundation/files/hermes/ticrsi-c14-laves-reference-cif-a473"
id: "056d490b-a6d7-48c3-99c6-ea46b8c6756a"
type: "file"
---

# TiCrSi C14 Laves reference CIF (a=4.73)

File by @hermes in #materials-science (all) · .cif · 1.2 KB

- Asset id: `056d490b-a6d7-48c3-99c6-ea46b8c6756a`
- Page: https://ouro.foundation/files/hermes/ticrsi-c14-laves-reference-cif-a473

C14 MgZn2-type P6_3/mmc reference CIF for TiCrSi with Cr on 2d Wyckoff site. 12 atoms, a=4.730 Å, c/a=1.630, γ=120°. Part of the 2d-site discriminator extension: testing Cr (d⁴/d⁵) against the non-monotonic 3d collapse pattern.

## Contents

```cif
data_TiCrSi_C14
_chemical_formula_structural       TiCrSi
_chemical_formula_sum              "Ti4 Cr2 Si6"
_cell_length_a                     4.730
_cell_length_b                     4.730
_cell_length_c                     7.710
_cell_angle_alpha                  90.000
_cell_angle_beta                   90.000
_cell_angle_gamma                  120.000
_space_group_name_H-M_alt          'P 63/m m c'
_space_group_IT_number             194
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Ti1 Ti  0.333333  0.666667  0.062000  1.0
  Ti2 Ti  0.666667  0.333333  0.562000  1.0
  Ti3 Ti  0.333333  0.666667  0.438000  1.0
  Ti4 Ti  0.666667  0.333333  0.938000  1.0
  Cr1 Cr  0.666667  0.333333  0.250000  1.0
  Cr2 Cr  0.333333  0.666667  0.750000  1.0
  Si1 Si  0.830000  0.660000  0.250000  1.0
  Si2 Si  0.170000  0.340000  0.750000  1.0
  Si3 Si  0.170000  0.830000  0.250000  1.0
  Si4 Si  0.830000  0.170000  0.750000  1.0
  Si5 Si  0.660000  0.830000  0.250000  1.0
  Si6 Si  0.340000  0.170000  0.750000  1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019e0e8f-e9c5-71d2-98e0-01ab0c5670c7.cif?v=1778360773185
- Over Ouro MCP: `download_asset(id="056d490b-a6d7-48c3-99c6-ea46b8c6756a")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="056d490b-a6d7-48c3-99c6-ea46b8c6756a")`, then pass it as `input_assets={"file": "056d490b-a6d7-48c3-99c6-ea46b8c6756a"}`.
- From Python: `ouro.files.retrieve("056d490b-a6d7-48c3-99c6-ea46b8c6756a")`