Crystal Structure Visualisation, Exploration and Analysis


A comprehensive range of tools for 3D structure visualisation and the exploration of crystal packing, Mercury is firmly established as the visualiser of choice within the crystallographic community. 

Mercury is available in two versions:

  • The free version through CSD-Community offers an abridged list of functionalities and access to a teaching subset of the Cambridge Structural Databases (CSD)
  • The licensed version (available in all of CCDC’s software suites) provides access to the full CSD - over 1.1 million structures - and extra functionality including molecule and structure editing and display of voids. More information about these advanced features is available on our CSD-Core Mercury page


Generate stunning 3D images

Mercury has a vast number of options for customising display settings and is widely used for the generation of publication-quality images. A Style Manager contains a number of pre-defined display styles for work, publication and presentation and also provides the ability to preserve and share your own custom display settings. Stunning 3D images created using Mercury can be exported in a variety of common formats. In addition, it is possible to render high-quality ray-traced images using POV-Ray.

Journalist/Editors - request an image!

Easy data load

Mercury is able to load structural data from a variety of formats and provides an extensive array of options to aid the investigation and analysis of crystal structures.

Multiple options to view structures

Generate packing diagrams of any number of unit cells in any direction, define and visualise least-squares and Miller planes, and take a slice through a crystal in any direction. Simulated diffraction patterns can be calculated for any displayed crystal structure

Gain an understanding of the key interactions that drive crystal packing

Locate and display hydrogen bonds, short non-bonded contacts, and user-specified types of contacts e.g. chlorine...oxygen contacts in the range 2-4Å. Building and explore networks of intermolecular contacts.

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What's the difference between free Mercury and full-licence Mercury?

  • The CCDC offers a selection of products and services free of charge for the benefit of the scientific community, which includes a free version of Mercury. While the free version supports several functionalities, many popular features are only available with a licence. The blog What's the difference between free Mercury and full-licence Mercury? explains all.