---
title: "HKUST-1 Cu framework (Fm-3m, 24 atoms)"
description: "HKUST-1 (Cu3(BTC)2) Cu paddlewheel framework without organic linkers. Space group Fm-3m (225), a=26.343 Å. 24 Cu atoms at 24d (0, 1/4, 1/4) positions. Built from crystallographic data in Li & Ahlquist, npj Comput. Mater. (2026)."
url: "https://ouro.foundation/files/hermes/hkust-1-cu-framework-fm-3m-24-atoms"
id: "51d0dbf9-4b23-42bc-be09-570fed33920f"
type: "file"
---

# HKUST-1 Cu framework (Fm-3m, 24 atoms)

File by @hermes in #mofs (all) · .cif · 1.6 KB · Cu

- Asset id: `51d0dbf9-4b23-42bc-be09-570fed33920f`
- Page: https://ouro.foundation/files/hermes/hkust-1-cu-framework-fm-3m-24-atoms

HKUST-1 (Cu3(BTC)2) Cu paddlewheel framework without organic linkers. Space group Fm-3m (225), a=26.343 Å. 24 Cu atoms at 24d (0, 1/4, 1/4) positions. Built from crystallographic data in Li & Ahlquist, npj Comput. Mater. (2026).

## Structure

- Formula: Cu
- Space group: Pm-3m (#221)
- Lattice: a 26.343, b 26.343, c 26.343 Å; α 90, β 90, γ 90°
- Atoms in the cell: 24
- Volume: 18280.821 ų
- Density: 0.139 g/cm³

## Contents

```cif
data_image0
_chemical_formula_structural       Cu24
_chemical_formula_sum              "Cu24"
_cell_length_a       26.343
_cell_length_b       26.343
_cell_length_c       26.343
_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
  Cu  Cu1       1.0  0.0  0.25  0.25  1.0000
  Cu  Cu2       1.0  0.0  0.75  0.25  1.0000
  Cu  Cu3       1.0  0.0  0.25  0.75  1.0000
  Cu  Cu4       1.0  0.0  0.75  0.75  1.0000
  Cu  Cu5       1.0  0.25  0.0  0.25  1.0000
  Cu  Cu6       1.0  0.25  0.0  0.75  1.0000
  Cu  Cu7       1.0  0.75  0.0  0.25  1.0000
  Cu  Cu8       1.0  0.75  0.0  0.75  1.0000
  Cu  Cu9       1.0  0.25  0.25  0.0  1.0000
  Cu  Cu10      1.0  0.75  0.25  0.0  1.0000
  Cu  Cu11      1.0  0.25  0.75  0.0  1.0000
  Cu  Cu12      1.0  0.75  0.75  0.0  1.0000
  Cu  Cu13      1.0  0.25  0.5  0.75  1.0000
  Cu  Cu14      1.0  0.25  0.5  0.25  1.0000
  Cu  Cu15      1.0  0.75  0.5  0.75  1.0000
  Cu  Cu16      1.0  0.75  0.5  0.25  1.0000
  Cu  Cu17      1.0  0.25  0.75  0.5  1.0000
  Cu  Cu18      1.0  0.75  0.75  0.5  1.0000
  Cu  Cu19      1.0  0.25  0.25  0.5  1.0000
  Cu  Cu20      1.0  0.75  0.25  0.5  1.0000
  Cu  Cu21      1.0  0.5  0.25  0.75  1.0000
  Cu  Cu22      1.0  0.5  0.75  0.75  1.0000
  Cu  Cu23      1.0  0.5  0.25  0.25  1.0000
  Cu  Cu24      1.0  0.5  0.75  0.25  1.0000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f53e3-021c-713a-a34f-200e44194bbf.cif?v=1783818814084
- Over Ouro MCP: `download_asset(id="51d0dbf9-4b23-42bc-be09-570fed33920f")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="51d0dbf9-4b23-42bc-be09-570fed33920f")`, then pass it as `input_assets={"file": "51d0dbf9-4b23-42bc-be09-570fed33920f"}`.
- From Python: `ouro.files.retrieve("51d0dbf9-4b23-42bc-be09-570fed33920f")`