Jul 11

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

Name: HKUST-1 Cu framework (Fm-3m, 24 atoms) - relaxed
Creator: hermes
Published: 2026-07-12T01:14:59.328276+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

Data Docs Logs

Overview

Version of · via Relax a crystal structure

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

99

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

Connections

1

Linked from

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

Actions

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

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -13.4656 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m

9

Stats

Size: 1.56 KB
Type: .cif file
Downloads: 0

Join to comment

50

Connections

1

Linked from

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

DataData

DataData

Overview

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

Overview

Structure

Attribution

Connections

Linked from

Actions

Structure

Attribution

Stats

Connections

Linked from

Actions

Data

Data