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Figure 7
(a) Lattice energy convergence plot and (b) total energy, (c) dispersion, (d) Coulombic and (e) annotated total energy framework diagrams calculated using the CE-B3LYP/6-31G(p,d) benchmark electron-density model. The tube size is set at 40, and the energy cut-off at 3.00 kJ mol−1 for all framework diagrams. All diagrams are viewed along the crystallographic a axis.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 82| Part 6| June 2026|
https://doi.org/10.1107/S2056989026004068
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