Mathematical crystal chemistry II: Random search for ionic crystals and analysis on oxide crystals registered in ICSD

Mathematical crystal chemistry views crystal structures as the optimal solutions of the mathematical optimization problem formalizing inorganic structural chemistry. This paper introduces the minimum and maximum atomic radii depending on the types of geometrical constraints, extending the concept of...

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Bibliographic Details
Main Author: Ryotaro Koshoji
Format: Article
Language:English
Published: American Physical Society 2025-07-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/6yl6-fr8b
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