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On the origin of the combinatorial complexity of the crystal structures with 0D, 1D, or 2D primary motifs

Daria A. Banaru, Wolfgang Hornfeck, Sergey M. Aksenov, A. M. Banaru

2023CrystEngComm15 citationsDOI

Abstract

Based on Krivovichev information measures for crystal structures and the universal partitioning scheme for different sources of information described previously by Hornfeck, we proposed a general scheme of complexity calculation for heterodesmic crystals.

Topics & Concepts

Scheme (mathematics)Crystal (programming language)Crystal structureComputer scienceTheoretical computer scienceMathematicsCrystallographyChemistryMathematical analysisProgramming languageX-ray Diffraction in CrystallographyCrystallography and molecular interactionsCrystallization and Solubility Studies