---
title: "template-Mn6Sb7Mo6 7 - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -144.3613 eV; energy change = -17.8772 eV; symmetry: P-6 → P-6"
url: "https://ouro.foundation/files/will/template-mn6sb7mo6-7-relaxed"
id: "f363c4ae-5e1e-4ec3-abe1-3e4331354089"
type: "file"
---

# template-Mn6Sb7Mo6 7 - relaxed

File by @will in #all (all) · .cif · 1.4 KB · Mn6Sb7Mo6

- Asset id: `f363c4ae-5e1e-4ec3-abe1-3e4331354089`
- Page: https://ouro.foundation/files/will/template-mn6sb7mo6-7-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -144.3613 eV; energy change = -17.8772 eV; symmetry: P-6 → P-6

## Structure

- Formula: Mn6Sb7Mo6
- Space group: P-6 (#174)
- Lattice: a 10.9991, b 10.9991, c 3.2726 Å; α 90, β 90.04, γ 120.03°
- Atoms in the cell: 19
- Volume: 342.782 ų
- Density: 8.514 g/cm³

## Contents

```cif
# generated using pymatgen
data_Mn6Sb7Mo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.9991
_cell_length_b   10.9991
_cell_length_c   3.2726
_cell_angle_alpha   89.9977
_cell_angle_beta   90.0378
_cell_angle_gamma   120.0274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn6Sb7Mo6
_chemical_formula_sum   'Mn6 Sb7 Mo6'
_cell_volume   342.7776
_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
  Mn  Mn0  1  0.8351  0.7831  0.4993  1
  Mn  Mn1  1  0.9481  0.1650  0.4998  1
  Mn  Mn2  1  0.2162  0.0521  0.5000  1
  Mn  Mn3  1  0.7543  0.9834  -0.0001  1
  Mn  Mn4  1  0.2283  0.2457  -0.0003  1
  Mn  Mn5  1  0.0171  0.7714  -0.0003  1
  Mo  Mo6  1  0.4205  0.5312  -0.0001  1
  Mo  Mo7  1  0.1120  0.5806  -0.0004  1
  Mo  Mo8  1  0.4686  0.8885  0.0001  1
  Mo  Mo9  1  0.9052  0.5693  0.5000  1
  Mo  Mo10  1  0.6642  0.0955  0.5005  1
  Mo  Mo11  1  0.4307  0.3351  0.5016  1
  Sb  Sb12  1  0.6824  0.5447  -0.0006  1
  Sb  Sb13  1  0.8637  0.3179  0.0003  1
  Sb  Sb14  1  0.4535  0.1361  0.0011  1
  Sb  Sb15  1  0.5796  0.7676  0.4999  1
  Sb  Sb16  1  0.1886  0.4207  0.4995  1
  Sb  Sb17  1  0.2324  0.8122  0.4999  1
  Sb  Sb18  1  -0.0004  -0.0001  -0.0003  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/56c30e2b-9868-4313-8927-75459083649d/cd3c0740-afc7-4421-a05d-1936c9e33ea4.cif?v=1782865845473
- Over Ouro MCP: `download_asset(id="f363c4ae-5e1e-4ec3-abe1-3e4331354089")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="f363c4ae-5e1e-4ec3-abe1-3e4331354089")`, then pass it as `input_assets={"file": "f363c4ae-5e1e-4ec3-abe1-3e4331354089"}`.
- From Python: `ouro.files.retrieve("f363c4ae-5e1e-4ec3-abe1-3e4331354089")`