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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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2025-07-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/6yl6-fr8b |
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