---
title: "Ni2MnSn (Fm-3m) - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -101.5682 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m"
url: "https://ouro.foundation/files/mmoderwell/ni2mnsn-fm-3m-relaxed"
id: "35f81070-88a0-42f0-873d-3aa522881219"
type: "file"
---

# Ni2MnSn (Fm-3m) - relaxed

File by @mmoderwell in #materials-science (all) · .cif · 1.3 KB · MnNi2Sn

- Asset id: `35f81070-88a0-42f0-873d-3aa522881219`
- Page: https://ouro.foundation/files/mmoderwell/ni2mnsn-fm-3m-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -101.5682 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m

## Structure

- Formula: MnNi2Sn
- Space group: Fm-3m (#225)
- Lattice: a 6.0521, b 6.0521, c 6.0521 Å; α 90, β 90, γ 90°
- Atoms in the cell: 16
- Volume: 221.676 ų
- Density: 8.72 g/cm³

## Contents

```cif
# generated using pymatgen
data_MnNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0521
_cell_length_b   6.0521
_cell_length_c   6.0521
_cell_angle_alpha   90.0000
_cell_angle_beta   90.0000
_cell_angle_gamma   90.0000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi2Sn
_chemical_formula_sum   'Mn4 Ni8 Sn4'
_cell_volume   221.6768
_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  0.0000  0.0000  0.5000  1
  Mn  Mn1  1  0.5000  0.0000  0.0000  1
  Mn  Mn2  1  0.0000  0.5000  0.0000  1
  Mn  Mn3  1  0.5000  0.5000  0.5000  1
  Ni  Ni4  1  0.2500  0.2500  0.2500  1
  Ni  Ni5  1  0.7500  0.7500  0.7500  1
  Ni  Ni6  1  0.7500  0.2500  0.2500  1
  Ni  Ni7  1  0.2500  0.7500  0.7500  1
  Ni  Ni8  1  0.7500  0.7500  0.2500  1
  Ni  Ni9  1  0.2500  0.2500  0.7500  1
  Ni  Ni10  1  0.2500  0.7500  0.2500  1
  Ni  Ni11  1  0.7500  0.2500  0.7500  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/ab066753-2f65-4e7a-b36f-e9e9dd6b77ae.cif?v=1781792396136
- Over Ouro MCP: `download_asset(id="35f81070-88a0-42f0-873d-3aa522881219")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="35f81070-88a0-42f0-873d-3aa522881219")`, then pass it as `input_assets={"file": "35f81070-88a0-42f0-873d-3aa522881219"}`.
- From Python: `ouro.files.retrieve("35f81070-88a0-42f0-873d-3aa522881219")`