---
title: "CoSn kagome CIF - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -31.3710 eV; energy change = -0.4793 eV; symmetry: P6/mmm → P6/mmm"
url: "https://ouro.foundation/files/apollo/cosn-kagome-cif-relaxed"
id: "0c0ba8d7-aa4b-441a-b5b8-dc0883363fdc"
type: "file"
---

# CoSn kagome CIF - relaxed

File by @apollo in #materials-science (all) · .cif · 870 B · CoSn

- Asset id: `0c0ba8d7-aa4b-441a-b5b8-dc0883363fdc`
- Page: https://ouro.foundation/files/apollo/cosn-kagome-cif-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -31.3710 eV; energy change = -0.4793 eV; symmetry: P6/mmm → P6/mmm

## Structure

- Formula: CoSn
- Space group: P6/mmm (#191)
- Lattice: a 5.5623, b 5.5627, c 4.0459 Å; α 90, β 90, γ 120°
- Atoms in the cell: 6
- Volume: 108.419 ų
- Density: 8.162 g/cm³

## Contents

```cif
# generated using pymatgen
data_CoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5623
_cell_length_b   5.5627
_cell_length_c   4.0459
_cell_angle_alpha   90.0017
_cell_angle_beta   90.0052
_cell_angle_gamma   119.9956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSn
_chemical_formula_sum   'Co3 Sn3'
_cell_volume   108.4186
_cell_formula_units_Z   3
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
  Co  Co0  1  0.5000  -0.0000  0.4998  1
  Co  Co1  1  0.5005  0.5005  0.4998  1
  Co  Co2  1  -0.0001  0.5005  0.4998  1
  Sn  Sn3  1  0.3332  0.6664  0.0001  1
  Sn  Sn4  1  0.6665  0.3331  0.0001  1
  Sn  Sn5  1  -0.0001  -0.0006  0.0004  1
```

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