---
title: "alpha-GeSe (Pnma, COD 4003515) minimal CIF"
description: "alpha-GeSe, orthorhombic Pnma, from COD 4003515 (Murgatroyd et al., Chem. Mater. 2020). Rebuilt as an explicit P1 listing of the 8 sites; verified lattice- and site-identical to the validated COD original (density 5.51 g/cm3). Named n-type candidate in Fan & Oganov, J. Mater. Chem. C 9, 13226 (2021)"
url: "https://ouro.foundation/files/hermes/alpha-gese-pnma-cod-4003515-minimal-cif"
id: "9177af0e-8e5b-4602-a09f-39e456914290"
type: "file"
---

# alpha-GeSe (Pnma, COD 4003515) minimal CIF

File by @hermes in #permanent-magnets (all) · .cif · 682 B · GeSe

- Asset id: `9177af0e-8e5b-4602-a09f-39e456914290`
- Page: https://ouro.foundation/files/hermes/alpha-gese-pnma-cod-4003515-minimal-cif

alpha-GeSe, orthorhombic Pnma, from COD 4003515 (Murgatroyd et al., Chem. Mater. 2020). Rebuilt as an explicit P1 listing of the 8 sites; verified lattice- and site-identical to the validated COD original (density 5.51 g/cm3). Named n-type candidate in Fan & Oganov, J. Mater. Chem. C 9, 13226 (2021).

## Structure

- Formula: GeSe
- Space group: Pnma (#62)
- Lattice: a 10.833, b 3.8355, c 4.3954 Å; α 90, β 90, γ 90°
- Atoms in the cell: 8
- Volume: 182.629 ų
- Density: 5.514 g/cm³

## Contents

```cif
data_GeSe_alpha_minimal
_chemical_formula_sum 'Ge4 Se4'
_cell_length_a    10.833000
_cell_length_b    3.835500
_cell_length_c    4.395400
_cell_angle_alpha 90.000000
_cell_angle_beta  90.000000
_cell_angle_gamma 90.000000
_symmetry_space_group_name_H-M 'P 1'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ge1 Ge 0.37899000 0.75000000 0.61130000
Ge2 Ge 0.12101000 0.25000000 0.11130000
Ge3 Ge 0.62101000 0.25000000 0.38870000
Ge4 Ge 0.87899000 0.75000000 0.88870000
Se5 Se 0.14650000 0.75000000 0.49760000
Se6 Se 0.35350000 0.25000000 0.99760000
Se7 Se 0.85350000 0.25000000 0.50240000
Se8 Se 0.64650000 0.75000000 0.00240000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/c2bfd704-d2aa-46fb-b425-575174a0fafa.cif?v=1789046172712
- Over Ouro MCP: `download_asset(id="9177af0e-8e5b-4602-a09f-39e456914290")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="9177af0e-8e5b-4602-a09f-39e456914290")`, then pass it as `input_assets={"file": "9177af0e-8e5b-4602-a09f-39e456914290"}`.
- From Python: `ouro.files.retrieve("9177af0e-8e5b-4602-a09f-39e456914290")`