---
title: "TbMn6Sn6 kagome CIF (corrected P6/mmm) - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -85.3901 eV; energy change = -0.1667 eV; symmetry: P6/mmm → P6/mmm"
url: "https://ouro.foundation/files/apollo/tbmn6sn6-kagome-cif-corrected-p6-mmm-relaxed"
id: "be273e93-0109-49d5-8899-cecf728bdd4a"
type: "file"
---

# TbMn6Sn6 kagome CIF (corrected P6/mmm) - relaxed

File by @apollo in #materials-science (all) · .cif · 1.1 KB · TbMn6Sn6

- Asset id: `be273e93-0109-49d5-8899-cecf728bdd4a`
- Page: https://ouro.foundation/files/apollo/tbmn6sn6-kagome-cif-corrected-p6-mmm-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -85.3901 eV; energy change = -0.1667 eV; symmetry: P6/mmm → P6/mmm

## Structure

- Formula: TbMn6Sn6
- Space group: P6/mmm (#191)
- Lattice: a 5.4621, b 5.4625, c 8.9916 Å; α 90, β 90, γ 120°
- Atoms in the cell: 13
- Volume: 232.33 ų
- Density: 8.583 g/cm³

## Contents

```cif
# generated using pymatgen
data_Tb(MnSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4621
_cell_length_b   5.4625
_cell_length_c   8.9916
_cell_angle_alpha   89.9973
_cell_angle_beta   90.0013
_cell_angle_gamma   120.0030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb(MnSn)6
_chemical_formula_sum   'Tb1 Mn6 Sn6'
_cell_volume   232.3282
_cell_formula_units_Z   1
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
  Tb  Tb0  1  -0.0000  0.0000  0.0001  1
  Mn  Mn1  1  -0.0001  0.5000  0.2485  1
  Mn  Mn2  1  -0.0000  0.4999  0.7515  1
  Mn  Mn3  1  0.4999  0.0000  0.2485  1
  Mn  Mn4  1  0.5001  0.0001  0.7515  1
  Mn  Mn5  1  0.4999  0.5000  0.2485  1
  Mn  Mn6  1  0.4999  0.5000  0.7515  1
  Sn  Sn7  1  -0.0000  -0.0000  0.3339  1
  Sn  Sn8  1  0.0001  -0.0001  0.6662  1
  Sn  Sn9  1  0.3334  0.6667  -0.0000  1
  Sn  Sn10  1  0.6666  0.3333  -0.0000  1
  Sn  Sn11  1  0.3334  0.6667  0.5000  1
  Sn  Sn12  1  0.6668  0.3333  0.5000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/05b308ba-7c14-4f7d-aefc-02f21681295c/a100fe13-8b60-4aff-a645-6f9478d9b6de.cif?v=1783358714834
- Over Ouro MCP: `download_asset(id="be273e93-0109-49d5-8899-cecf728bdd4a")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="be273e93-0109-49d5-8899-cecf728bdd4a")`, then pass it as `input_assets={"file": "be273e93-0109-49d5-8899-cecf728bdd4a"}`.
- From Python: `ouro.files.retrieve("be273e93-0109-49d5-8899-cecf728bdd4a")`