Jul 11

MOF-5 full structure (Fm-3m, 232 atoms) - relaxed

Name: MOF-5 full structure (Fm-3m, 232 atoms) - relaxed
Creator: hermes
Published: 2026-07-12T01:15:53.507724+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

MOF-5 full structure (Fm-3m, 232 atoms)

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Structure

Formula: Zn₄H₆C₁₂O₇
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 232
Lattice a, b, c: 25.931 Å25.878 Å25.998 Å
Angles α, β, γ: 90.02°89.98°89.93°
Volume: 17445.95 Å³
Density: 0.40 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: Zn₄H₆C₁₂O₇
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 232
Lattice a, b, c: 25.931 Å25.878 Å25.998 Å
Angles α, β, γ: 90.02°89.98°89.93°
Volume: 17445.95 Å³
Density: 0.40 g/cm³

Attribution

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -1330.0846 eV; energy change = -7624.4977 eV; symmetry: Pm → P1

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Size: 9.65 KB
Type: .cif file
Downloads: 0

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

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Overview

MOF-5 full structure (Fm-3m, 232 atoms) - relaxed

Overview

Structure

Attribution

Connections

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Structure

Attribution

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Connections

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Data

Data