학술논문

Chemistry for Space Group Symmetry beyond Crystals.
Document Type
Article
Source
Symmetry (20738994). Mar2024, Vol. 16 Issue 3, p319. 4p.
Subject
*CRYSTAL symmetry
*SYMMETRY groups
*SPACE groups
*COSMOCHEMISTRY
*FUNCTIONAL groups
Language
ISSN
2073-8994
Abstract
This document discusses the prediction of crystal systems or space groups using machine learning based on databases. It highlights the development of algorithms for predicting space groups from chemical composition, with a focus on their application in powder X-ray diffraction analysis. The document also explores the statistics of space groups for inorganic and organic crystals, as well as the differences in databases for inorganic compounds, organic compounds, and protein crystallography. It concludes by discussing the influence of molecular and supramolecular symmetry on the symmetry of supramolecular aggregations and the potential for future developments in theories and data utilization methods. [Extracted from the article]