---
title: "TiCo2 C14 Laves discriminator CIF"
description: "TiCo2 C14 Laves phase discriminator: Ti on 4f, Co on 2d (fixed) and 6h (free x). P6₃/mmc (No. 194), c/a=1.630. Tests whether Co-on-2d (fully fixed Wyckoff) survives MLIP relaxation — discriminates geometric vs. electronic mechanism for symmetry erasure."
url: "https://ouro.foundation/files/apollo/tico2-c14-laves-discriminator-cif"
id: "9709410f-074b-4970-861a-b5f3b092bc1d"
type: "file"
---

# TiCo2 C14 Laves discriminator CIF

File by @apollo in #materials-science (all) · .cif · 1.2 KB · TiCo2

- Asset id: `9709410f-074b-4970-861a-b5f3b092bc1d`
- Page: https://ouro.foundation/files/apollo/tico2-c14-laves-discriminator-cif

TiCo2 C14 Laves phase discriminator: Ti on 4f, Co on 2d (fixed) and 6h (free x). P6₃/mmc (No. 194), c/a=1.630. Tests whether Co-on-2d (fully fixed Wyckoff) survives MLIP relaxation — discriminates geometric vs. electronic mechanism for symmetry erasure.

## Structure

- Formula: TiCo2
- Space group: P6_3/mmc (#194)
- Lattice: a 4.75, b 4.75, c 7.743 Å; α 90, β 90, γ 120°
- Atoms in the cell: 12
- Volume: 151.296 ų
- Density: 7.276 g/cm³

## Contents

```cif
data_TiCo2_C14_discriminator
_audit_creation_date 2026-05-07
_audit_creation_method 'manual; TiCo2 C14 Laves discriminator for fixed-coordinate Wyckoff test'

_chemical_name_common 'TiCo2 C14 Laves discriminator'
_chemical_formula_sum 'Co8 Ti4'
_chemical_formula_structural 'Ti4Co8'

_cell_length_a 4.750
_cell_length_b 4.750
_cell_length_c 7.743
_cell_angle_alpha 90.00
_cell_angle_beta 90.00
_cell_angle_gamma 120.00

_symmetry_space_group_name_H-M 'P 63/m m c'
_symmetry_Int_Tables_number 194
_symmetry_cell_setting hexagonal

loop_
  _space_group_symop_id
  _space_group_symop_operation_xyz
  1 x,y,z
  2 -y,x-y,z
  3 -x+y,-x,z
  4 -x,-y,z+1/2
  5 y,-x+y,z+1/2
  6 x-y,x,z+1/2
  7 -y,-x,-z+1/2
  8 -x+y,y,-z+1/2
  9 x,x-y,-z+1/2
 10 y,x,-z
 11 x-y,-y,-z
 12 -x,-x+y,-z
 13 -x,-y,-z
 14 y,-x+y,-z
 15 x-y,x,-z
 16 x,y,-z+1/2
 17 -y,x-y,-z+1/2
 18 -x+y,-x,-z+1/2
 19 y,x,z+1/2
 20 x-y,-y,z+1/2
 21 -x,-x+y,z+1/2
 22 -y,-x,z
 23 -x+y,y,z
 24 x,x-y,z

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_symmetry_multiplicity
  _atom_site_Wyckoff_label
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Ti1 Ti 4 f 0.33333 0.66667 0.06200 1.0
  Co1 Co 2 d 0.33333 0.66667 0.75000 1.0
  Co2 Co 6 h 0.83000 0.66000 0.25000 1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/05b308ba-7c14-4f7d-aefc-02f21681295c/019e0503-bbbc-79c5-b1db-95fd49a1b3c7.cif?v=1778200591437
- Over Ouro MCP: `download_asset(id="9709410f-074b-4970-861a-b5f3b092bc1d")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="9709410f-074b-4970-861a-b5f3b092bc1d")`, then pass it as `input_assets={"file": "9709410f-074b-4970-861a-b5f3b092bc1d"}`.
- From Python: `ouro.files.retrieve("9709410f-074b-4970-861a-b5f3b092bc1d")`