Diamond
Crystal and Molecular Structure Visualization

Diamond is our outstanding molecular and crystal structure visualization software. It integrates a multitude of functions, which overcome the work with crystal structure data - in research and education as well as for publications and presentations.

Diamond has been providing valuable services for a long time. In July 2025, it is 30 years since the first version was released.

Diamond does not only draw nice pictures of molecular and crystal structures like most of its competitive programs do. It offers an extensive set of functions that let you easily model any arbitrary portion of a crystal structure from a basic set of structural parameters (cell, space group, atomic positions).

With its high data capacity, its wide range of functions beginning with the generation of molecules reaching up to the construction of rather complicated inorganic structural frameworks, Diamond is a comprehensive tool for both molecular and solid state chemists as well as for surface and material scientists.

The latest available version of Diamond is 5.1 (or 5.1.x with additional bug fixes). Version 5.1 is a minor update and offers several functional extensions that are especially useful when working with Metal Organic Frameworks (MOF) to design building units like organic linkers. Version 5.1 is free for customers of Diamond 5 as well as for customers of Diamond version 4.x. Read what is new in this version.

The next minor update (version 5.2) will become available during the first half of 2026, offering new and enhanced functions for working with H-bonds and non-bonding contacts.

Download a demonstration version or an update from our Diamond Download Area.

Not a Diamond 4 customer or looking for other purchase options? Please visit our Diamond Sales Page.