Jul 11

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

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

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Structure

Formula: Cu
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 24
Lattice a, b, c: 26.343 Å26.343 Å26.343 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 18280.82 Å³
Density: 0.14 g/cm³

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MOF frameworks under Orb v3: symmetry holds on inorganic clusters, collapses on organic linkers

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Structure

Formula: Cu
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 24
Lattice a, b, c: 26.343 Å26.343 Å26.343 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 18280.82 Å³
Density: 0.14 g/cm³

Attribution

ARR license

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).

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Size: 1.59 KB
Type: .cif file
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Connections

2

Included in datasets

CIF calculated properties

Linked from

MOF frameworks under Orb v3: symmetry holds on inorganic clusters, collapses on organic linkers

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

Overview

Structure

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Included in datasets

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Structure

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Connections

Included in datasets

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