In July 2016, Samara Center for Theoretical Materials Science researchers jointly with the Nobel laureate in Chemistry Prof. Roald Hoffmann (Cornell University, USA) published a scientific article in one of the most prestigious peer-reviewed chemistry journals – “Angewandte Chemie” (impact factor 11.7). In the article, the scientists presented the world’s first database of 3-periodic carbon allotropes - SACADA (Samara Carbon Allotrope Database).During three years of SACADA creation, more than one thousand of research papers on carbon allotropes was found and analyzed. The data for 300 carbon allotropes were extracted and analyzed with topological and quantum-mechanical methods. The results of this work is presented in the open database SACADA at sacada.sctms.ru.
SACADA will assist solving a number of scientific problems concerning the identification of 3-periodic carbon allotropes, search of structures with targeted properties and prediction of new carbon allotropes. A keen interest to carbon allotropes is concerned with numerous attempts to obtain new superhard materials for industry, in particular for optics and electronics.