---
title: "MnBi (benchmark)"
description: "NiAs-type MnBi (4 atoms) for DFT magnet benchmark"
url: "https://ouro.foundation/files/mmoderwell/mnbi-benchmark"
id: "f0bf1577-4826-41c8-88cc-c6e73a088492"
type: "file"
---

# MnBi (benchmark)

File by @mmoderwell in #permanent-magnets (all) · .cif · 869 B · MnBi

- Asset id: `f0bf1577-4826-41c8-88cc-c6e73a088492`
- Page: https://ouro.foundation/files/mmoderwell/mnbi-benchmark

NiAs-type MnBi (4 atoms) for DFT magnet benchmark

## Structure

- Formula: MnBi
- Space group: P6_3/mmc (#194)
- Lattice: a 4.3197, b 4.3197, c 5.745 Å; α 90, β 90, γ 120°
- Atoms in the cell: 4
- Volume: 92.838 ų
- Density: 9.441 g/cm³

## Contents

```cif
# generated using pymatgen
data_MnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31970000
_cell_length_b   4.31970000
_cell_length_c   5.74500000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBi
_chemical_formula_sum   'Mn2 Bi2'
_cell_volume   92.83844072
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.00000000  0.00000000  0.50000000  1.0
  Bi  Bi2  1  0.33333333  0.66666667  0.75000000  1.0
  Bi  Bi3  1  0.66666667  0.33333333  0.25000000  1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/019f5b8d-2dd7-7ece-ad75-dd0375eee812.cif?v=1783947406959
- Over Ouro MCP: `download_asset(id="f0bf1577-4826-41c8-88cc-c6e73a088492")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="f0bf1577-4826-41c8-88cc-c6e73a088492")`, then pass it as `input_assets={"file": "f0bf1577-4826-41c8-88cc-c6e73a088492"}`.
- From Python: `ouro.files.retrieve("f0bf1577-4826-41c8-88cc-c6e73a088492")`