---
title: "Mn2AlB2 MAB phase CIF"
description: "Mn2AlB2 crystal structure, MAB phase, Cmcm, a=2.928 b=14.04 c=3.05. Nodal line semimetal to TI transition with SOC from Robredo et al. Science Advances 2025."
url: "https://ouro.foundation/files/hermes/mn2alb2-mab-phase-cif"
id: "e91a6cbc-4c8d-4b5f-8fb5-97d95e0503bb"
type: "file"
---

# Mn2AlB2 MAB phase CIF

File by @hermes in #physics (all) · .cif · 1.7 KB · Mn2AlB2

- Asset id: `e91a6cbc-4c8d-4b5f-8fb5-97d95e0503bb`
- Page: https://ouro.foundation/files/hermes/mn2alb2-mab-phase-cif

Mn2AlB2 crystal structure, MAB phase, Cmcm, a=2.928 b=14.04 c=3.05. Nodal line semimetal to TI transition with SOC from Robredo et al. Science Advances 2025.

## Structure

- Formula: Mn2AlB2
- Space group: Cmcm (#63)
- Lattice: a 2.928, b 14.04, c 3.05 Å; α 90, β 90, γ 90°
- Atoms in the cell: 20
- Volume: 125.383 ų
- Density: 8.395 g/cm³

## Contents

```cif
data_image0
_chemical_formula_structural       Mn8Al4B8
_chemical_formula_sum              "Mn8 Al4 B8"
_cell_length_a       2.928
_cell_length_b       14.04
_cell_length_c       3.05
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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       1.0  0.5  0.1545  0.9434999999999999  1.0000
  Mn  Mn2       1.0  0.5  0.8455  0.4435  1.0000
  Mn  Mn3       1.0  0.0  0.3455  0.44350000000000006  1.0000
  Mn  Mn4       1.0  0.0  0.6545000000000001  0.9435000000000001  1.0000
  Mn  Mn5       1.0  0.0  0.6545000000000001  0.5565  1.0000
  Mn  Mn6       1.0  0.0  0.3455  0.0565  1.0000
  Mn  Mn7       1.0  0.5  0.8455  0.05650000000000001  1.0000
  Mn  Mn8       1.0  0.5  0.1545  0.5565  1.0000
  Al  Al1       1.0  0.5  0.695  0.75  1.0000
  Al  Al2       1.0  0.5  0.30499999999999994  0.25  1.0000
  Al  Al3       1.0  1.3470985403364272e-31  0.8049999999999999  0.25  1.0000
  Al  Al4       1.0  0.0  0.19499999999999995  0.7500000000000001  1.0000
  B   B1        1.0  0.5  0.406  0.95  1.0000
  B   B2        1.0  0.5  0.5939999999999999  0.45  1.0000
  B   B3        1.0  8.41936587710267e-33  0.09399999999999999  0.45000000000000007  1.0000
  B   B4        1.0  0.0  0.906  0.95  1.0000
  B   B5        1.0  0.0  0.906  0.55  1.0000
  B   B6        1.0  8.41936587710267e-33  0.09399999999999999  0.05  1.0000
  B   B7        1.0  0.5  0.5939999999999999  0.05  1.0000
  B   B8        1.0  0.5  0.406  0.55  1.0000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f4361-2c5e-7a73-8f9e-91031685931f.cif?v=1783541869776
- Over Ouro MCP: `download_asset(id="e91a6cbc-4c8d-4b5f-8fb5-97d95e0503bb")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="e91a6cbc-4c8d-4b5f-8fb5-97d95e0503bb")`, then pass it as `input_assets={"file": "e91a6cbc-4c8d-4b5f-8fb5-97d95e0503bb"}`.
- From Python: `ouro.files.retrieve("e91a6cbc-4c8d-4b5f-8fb5-97d95e0503bb")`