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Why is Void Space of Interest?

Porous materials, including MOFs, are of increasing research interest for many applications including carbon capture and storage, hydrogen storage, battery materials, and catalysis. This increased research interest is reflected in the growth of MOF structures in the Cambridge Structural Database (CSD).

The growth of MOF structures in the CSD.

Knowledge of void space in porous materials provides insight into the stability of a structure and their physical properties.

Pore Analyser provides useful data for porous material evaluation.​ Analysis requires minimal data preparation, saving time and effort​. Using the CSD Python API allows high-throughput analysis of multiple structures for greater insights.

Pore Analyser results in Mercury.

The functionality, available within existing CCDC software which allows use alongside all current tools, includes:

Pore Analyser results highlighting the difference between ‘Total’ and ‘Network Accessible’ volume for a fullerene structure with isolated void space within the fullerene cage.
Pore Analyser results showing how existing Mercury tools allow the visualized structure to be modified and the changes reflected in the Pore Analyser results.

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CSD (153)

CSD Python API (19)

Mercury (26)

MOFs (12)