Software for Scientists Register   Contact    Follow us on Twitter   Follow us on Google+    Search
About us Diamond Endeavour Match! Pearson's CD  

Crystal and Molecular Structure Visualization

Diamond, our well-known crystal and molecular structure visualization and exploration program, is already used in more than 620 institutions in 56 countries all over the world. Its elaborate user interface in combination with the large variety of outstanding features makes it the ideal tool both for research and teaching. Due to Diamond's integrated POV-Ray(TM) interface, even photorealistic crystal structure pictures can be designed for presentation and publication. More...
Diamond - Crystal and Molecular Structure Visualization

Structure Solution from Powder Diffraction

Endeavour is a powerful software for structure solution from powder diffraction data. The combination of its innovative concept and its elaborate user interface makes solution of small to medium sized crystal structures an almost routine process, both for organic and for inorganic materials. The structure solution is performed using a combined global optimization of the difference between calculated and observed diffraction pattern and of the potential energy of the system. More...
Endeavour - Structure Solution from Powder Diffraction

Phase Identification from Powder Diffraction

Match! is an affordable, easy-to-use software for phase identification from powder diffraction data, running on Windows, Mac and Linux. Its powerful matching algorithm along with its elaborate re-strainting features allows the easy identification of single and multiple phase mixtures. As reference database, you can apply the included free-of-charge COD database, use any ICDD PDF product, the ICSD/Retrieve (released 1993-2002), and/or create a user database based on your own diffraction patterns. More...
Match! - Phase Identification from Powder Diffraction

Pearson's Crystal Data
Crystal Structure Database for Inorganic Compounds

Pearson's Crystal Data CD-ROM started in July 2007 with about 150,000 crystal structures of inorganic materials and compounds (including atom coordinates and displacement parameters, when determined). The current release 2015/16 contains more than 273,800 entries for about 157,000 different chemical formulas, roughly 17,900 experimental powder diffraction patterns and about 255,000 calculated patterns (interplanar spacings, intensities, Miller indices). The database is edited by Pierre Villars and Karin Cenzual and is published by ASM InternationalMore...
Pearson's Crystal Data CD-ROM - Non-organic crystal structure database