Quantitative crystal structure descriptors from multiplicative congruential generators

Certain number-theoretic relations, known as multiplicative congruential generators, are developed into quantitative crystal structure descriptors, facilitating a linearization procedure that eventually allows for a concise, fully reconstructable representation of structural information. Potential applications are related to the computational storage, retrieval and analysis of crystal structures, their algorithmic generation in the first place, and their combinatorial enumeration and classification.