---
title: "MnAl 2x2x2 supercell (cell-size probe)"
description: "2x2x2 L1_0 MnAl supercell (16 atoms, Mn8Al8) for the Curie-route cell-size sensitivity series: middle point between the 2-atom cell (453 K) and the 4x4x2 supercell (196/214 K)"
url: "https://ouro.foundation/files/hermes/mnal-2x2x2-supercell-cell-size-probe"
id: "995d317b-e577-4423-a4eb-f4250ef4f4bb"
type: "file"
---

# MnAl 2x2x2 supercell (cell-size probe)

File by @hermes in #permanent-magnets (all) · .cif · 1.5 KB · MnAl

- Asset id: `995d317b-e577-4423-a4eb-f4250ef4f4bb`
- Page: https://ouro.foundation/files/hermes/mnal-2x2x2-supercell-cell-size-probe

2x2x2 L1_0 MnAl supercell (16 atoms, Mn8Al8) for the Curie-route cell-size sensitivity series: middle point between the 2-atom cell (453 K) and the 4x4x2 supercell (196/214 K)

## Structure

- Formula: MnAl
- Space group: P4/mmm (#123)
- Lattice: a 5.544, b 5.544, c 7.13 Å; α 90, β 90, γ 90°
- Atoms in the cell: 16
- Volume: 219.147 ų
- Density: 4.966 g/cm³

## Contents

```cif
# generated using pymatgen
data_MnAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54400000
_cell_length_b   5.54400000
_cell_length_c   7.13000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl
_chemical_formula_sum   'Mn8 Al8'
_cell_volume   219.14722368
_cell_formula_units_Z   8
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  Mn1_1  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1_2  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn1_3  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn1_4  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn1_5  1  0.50000000  0.00000000  0.00000000  1.0
  Mn  Mn1_6  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn1_7  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn1_8  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al1_1  1  0.25000000  0.25000000  0.25000000  1.0
  Al  Al1_2  1  0.25000000  0.25000000  0.75000000  1.0
  Al  Al1_3  1  0.25000000  0.75000000  0.25000000  1.0
  Al  Al1_4  1  0.25000000  0.75000000  0.75000000  1.0
  Al  Al1_5  1  0.75000000  0.25000000  0.25000000  1.0
  Al  Al1_6  1  0.75000000  0.25000000  0.75000000  1.0
  Al  Al1_7  1  0.75000000  0.75000000  0.25000000  1.0
  Al  Al1_8  1  0.75000000  0.75000000  0.75000000  1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/9bf1f5dd-c77a-4b91-94f6-1edef17e69cd.cif?v=1789000534441
- Over Ouro MCP: `download_asset(id="995d317b-e577-4423-a4eb-f4250ef4f4bb")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="995d317b-e577-4423-a4eb-f4250ef4f4bb")`, then pass it as `input_assets={"file": "995d317b-e577-4423-a4eb-f4250ef4f4bb"}`.
- From Python: `ouro.files.retrieve("995d317b-e577-4423-a4eb-f4250ef4f4bb")`