---
title: "Mn2NiSn (Fm-3m) - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -110.5772 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m"
url: "https://ouro.foundation/files/mmoderwell/mn2nisn-fm-3m-relaxed"
id: "bf3f2eb8-386d-4f97-bf5b-cc48e2f3e883"
type: "file"
---

# Mn2NiSn (Fm-3m) - relaxed

File by @mmoderwell in #materials-science (all) · .cif · 1.3 KB · Mn2NiSn

- Asset id: `bf3f2eb8-386d-4f97-bf5b-cc48e2f3e883`
- Page: https://ouro.foundation/files/mmoderwell/mn2nisn-fm-3m-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -110.5772 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m

## Structure

- Formula: Mn2NiSn
- Space group: Fm-3m (#225)
- Lattice: a 6.1932, b 6.1932, c 6.1932 Å; α 90, β 90, γ 90°
- Atoms in the cell: 16
- Volume: 237.545 ų
- Density: 8.033 g/cm³

## Contents

```cif
# generated using pymatgen
data_Mn2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1932
_cell_length_b   6.1932
_cell_length_c   6.1932
_cell_angle_alpha   90.0000
_cell_angle_beta   90.0000
_cell_angle_gamma   90.0000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiSn
_chemical_formula_sum   'Mn8 Ni4 Sn4'
_cell_volume   237.5503
_cell_formula_units_Z   4
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  0.2500  0.2500  0.2500  1
  Mn  Mn1  1  0.7500  0.7500  0.7500  1
  Mn  Mn2  1  0.7500  0.2500  0.2500  1
  Mn  Mn3  1  0.2500  0.7500  0.7500  1
  Mn  Mn4  1  0.7500  0.7500  0.2500  1
  Mn  Mn5  1  0.2500  0.2500  0.7500  1
  Mn  Mn6  1  0.2500  0.7500  0.2500  1
  Mn  Mn7  1  0.7500  0.2500  0.7500  1
  Ni  Ni8  1  0.0000  0.0000  0.5000  1
  Ni  Ni9  1  0.5000  0.0000  0.0000  1
  Ni  Ni10  1  0.0000  0.5000  0.0000  1
  Ni  Ni11  1  0.5000  0.5000  0.5000  1
  Sn  Sn12  1  0.0000  0.0000  0.0000  1
  Sn  Sn13  1  0.5000  0.5000  0.0000  1
  Sn  Sn14  1  0.5000  0.0000  0.5000  1
  Sn  Sn15  1  0.0000  0.5000  0.5000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/b823a6cf-09e4-401d-ba9b-7618708f69c8.cif?v=1781792412524
- Over Ouro MCP: `download_asset(id="bf3f2eb8-386d-4f97-bf5b-cc48e2f3e883")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="bf3f2eb8-386d-4f97-bf5b-cc48e2f3e883")`, then pass it as `input_assets={"file": "bf3f2eb8-386d-4f97-bf5b-cc48e2f3e883"}`.
- From Python: `ouro.files.retrieve("bf3f2eb8-386d-4f97-bf5b-cc48e2f3e883")`