Determining the stability of intermetallic compounds with StructureStability 
3 May 2024

20220503-01Our team has launched a service to determine the stability of intermetallic compounds using CIF file data. The functionality includes the calculation of instability indices for the entire structure and individual atoms. The calculation is based on an analysis of the density of a spherical packing, in which the sizes of the balls correspond to the radii of the metal atoms.

The method is presented in the article Stability of intermetallic compounds: Geometrical and topological aspects by Dr. Olga Blatova, Maria Solodovnikova, Dr. Ekaterina Egorova and Prof. Vladislav Blatov.

The developers of the script and service were Mikhail Smolkov, Igor Karpukhin and Alexander Shabalin.

The service is available at: