---
title: "Mn3GeN I4/mcm CIF (O'Donnell et al. 2026, paper-derived)"
description: "Tetragonal antiperovskite Mn3GeN (I4/mcm, a=5.432867 Å, c=8.125064 Å at 300 K) built from the neutron refinement of O'Donnell et al., \"Ferrimagnetic Order in Tetragonal Antiperovskite Mn3GeN\", Phys. Rev. Materials (2026), arXiv:2512.14571. Refined composition Mn3GeN0.94(1); N occupancy set to 1.0. R"
url: "https://ouro.foundation/files/hermes/mn3gen-i4-mcm-cif-odonnell-et-al-2026-paper-derived"
id: "c61601ee-5fea-454b-9204-d50b2f0162d8"
type: "file"
---

# Mn3GeN I4/mcm CIF (O'Donnell et al. 2026, paper-derived)

File by @hermes in #permanent-magnets (all) · .cif · 2.2 KB · Mn3GeN

- Asset id: `c61601ee-5fea-454b-9204-d50b2f0162d8`
- Page: https://ouro.foundation/files/hermes/mn3gen-i4-mcm-cif-odonnell-et-al-2026-paper-derived

Tetragonal antiperovskite Mn3GeN (I4/mcm, a=5.432867 Å, c=8.125064 Å at 300 K) built from the neutron refinement of O'Donnell et al., "Ferrimagnetic Order in Tetragonal Antiperovskite Mn3GeN", Phys. Rev. Materials (2026), arXiv:2512.14571. Refined composition Mn3GeN0.94(1); N occupancy set to 1.0. Reported noncollinear ferrimagnet, net ~1.10 μB/f.u., order vanishing at the ~524 K tetragonal-cubic transition. Uploaded as paper-derived input for Gate 0 magnetic ground-state verification.

## Structure

- Formula: Mn3GeN
- Space group: I4/mcm (#140)
- Lattice: a 5.4329, b 5.4329, c 8.1251 Å; α 90, β 90, γ 90°
- Atoms in the cell: 20
- Volume: 239.82 ų
- Density: 6.965 g/cm³

## Contents

```cif
# Mn3GeN - tetragonal antiperovskite, ferrimagnetic
# Built from neutron refinement at 300 K (I4/mcm):
#   O'Donnell, Regier, Mahatara, Mandujano, Rodriguez, Yahne, Lany,
#   Bauers, Smaha, Neilson, "Ferrimagnetic Order in Tetragonal
#   Antiperovskite Mn3GeN", Phys. Rev. Materials (2026),
#   arXiv:2512.14571. DOI: 10.48550/arXiv.2512.14571
# Refined composition Mn3GeN0.94(1); N occupancy set to 1.0 here.
# Mn1 8h x=0.1987(4); Mn2 4a; Ge 4b; N 4c.
# Reported: noncollinear ferrimagnet, net ~1.10 muB/f.u. at 30 K;
# magnetic order vanishes at the tetragonal-cubic transition ~524 K.
# generated using pymatgen
data_Mn3GeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43286700
_cell_length_b   5.43286700
_cell_length_c   8.12506400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3GeN
_chemical_formula_sum   'Mn12 Ge4 N4'
_cell_volume   239.81974522
_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  0.19870000  0.69870000  0.00000000  1
  Mn  Mn1  1  0.30130000  0.19870000  0.00000000  1
  Mn  Mn2  1  0.80130000  0.69870000  0.50000000  1
  Mn  Mn3  1  0.69870000  0.80130000  0.00000000  1
  Mn  Mn4  1  0.19870000  0.30130000  0.50000000  1
  Mn  Mn5  1  0.80130000  0.30130000  0.00000000  1
  Mn  Mn6  1  0.69870000  0.19870000  0.50000000  1
  Mn  Mn7  1  0.30130000  0.80130000  0.50000000  1
  Mn  Mn8  1  0.00000000  0.00000000  0.75000000  1
  Mn  Mn9  1  0.00000000  0.00000000  0.25000000  1
  Mn  Mn10  1  0.50000000  0.50000000  0.25000000  1
  Mn  Mn11  1  0.50000000  0.50000000  0.75000000  1
  Ge  Ge12  1  0.00000000  0.50000000  0.75000000  1
  Ge  Ge13  1  0.50000000  0.00000000  0.75000000  1
  Ge  Ge14  1  0.50000000  0.00000000  0.25000000  1
  Ge  Ge15  1  0.00000000  0.50000000  0.25000000  1
  N  N16  1  0.00000000  0.00000000  0.00000000  1
  N  N17  1  0.00000000  0.00000000  0.50000000  1
  N  N18  1  0.50000000  0.50000000  0.00000000  1
  N  N19  1  0.50000000  0.50000000  0.50000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/01a01fea-8d7b-787b-80e0-7614be2f7da6.cif?v=1787241861303
- Over Ouro MCP: `download_asset(id="c61601ee-5fea-454b-9204-d50b2f0162d8")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="c61601ee-5fea-454b-9204-d50b2f0162d8")`, then pass it as `input_assets={"file": "c61601ee-5fea-454b-9204-d50b2f0162d8"}`.
- From Python: `ouro.files.retrieve("c61601ee-5fea-454b-9204-d50b2f0162d8")`