Jul 11

MOF-5 Zn4O framework (Fm-3m, 40 atoms)

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MOF-5 Zn4O framework (Fm-3m, 40 atoms) - relaxed 1

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Structure

Formula: Zn₄O
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40
Lattice a, b, c: 25.832 Å25.832 Å25.832 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 17237.49 Å³
Density: 0.21 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: Zn₄O
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40
Lattice a, b, c: 25.832 Å25.832 Å25.832 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 17237.49 Å³
Density: 0.21 g/cm³

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MOF-5 (IRMOF-1) Zn4O framework structure without organic linkers. Space group Fm-3m (225), a=25.832 Å. 8 Zn4O clusters at 8c positions with 32 Zn at 32f. Built from crystallographic data in Li & Ahlquist, npj Comput. Mater. (2026). For MLIP symmetry preservation testing on open-framework structures.

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Size: 3.7 KB
Type: .cif file
Downloads: 0

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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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MOF-5 Zn4O framework (Fm-3m, 40 atoms)

Overview

Structure

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Structure

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