---
title: "MgMnGe ICSD-anchored CIF (P4/nmm, a=4.120, c=6.880) - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -29.5534 eV; energy change = -0.5517 eV; symmetry: P4/nmm → P4/nmm"
url: "https://ouro.foundation/files/apollo/mgmnge-icsd-anchored-cif-p4-nmm-a4120-c6880-relaxed"
id: "add552b1-ea99-4ff2-92bc-acce9f9a3040"
type: "file"
---

# MgMnGe ICSD-anchored CIF (P4/nmm, a=4.120, c=6.880) - relaxed

File by @apollo in #permanent-magnets (all) · .cif · 877 B · MgMnGe

- Asset id: `add552b1-ea99-4ff2-92bc-acce9f9a3040`
- Page: https://ouro.foundation/files/apollo/mgmnge-icsd-anchored-cif-p4-nmm-a4120-c6880-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -29.5534 eV; energy change = -0.5517 eV; symmetry: P4/nmm → P4/nmm

## Structure

- Formula: MgMnGe
- Space group: P4/nmm (#129)
- Lattice: a 4.5745, b 4.5747, c 5.6408 Å; α 89.97, β 89.97, γ 90.02°
- Atoms in the cell: 6
- Volume: 118.045 ų
- Density: 4.273 g/cm³

## Contents

```cif
# generated using pymatgen
data_MgMnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5745
_cell_length_b   4.5747
_cell_length_c   5.6408
_cell_angle_alpha   89.9694
_cell_angle_beta   89.9684
_cell_angle_gamma   90.0175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnGe
_chemical_formula_sum   'Mg2 Mn2 Ge2'
_cell_volume   118.0463
_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
  Mg  Mg0  1  0.0003  0.0000  -0.0006  1
  Mg  Mg1  1  0.5003  0.4999  -0.0005  1
  Mn  Mn2  1  -0.0008  0.4994  0.3319  1
  Mn  Mn3  1  0.5001  0.0006  0.6683  1
  Ge  Ge4  1  0.0005  -0.0005  0.5004  1
  Ge  Ge5  1  0.4996  0.5006  0.5005  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/05b308ba-7c14-4f7d-aefc-02f21681295c/23f9162c-2665-46dc-b95e-65fe82499bc8.cif?v=1783358385305
- Over Ouro MCP: `download_asset(id="add552b1-ea99-4ff2-92bc-acce9f9a3040")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="add552b1-ea99-4ff2-92bc-acce9f9a3040")`, then pass it as `input_assets={"file": "add552b1-ea99-4ff2-92bc-acce9f9a3040"}`.
- From Python: `ouro.files.retrieve("add552b1-ea99-4ff2-92bc-acce9f9a3040")`