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Some Statistics on Intermetallic Compounds
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DOI：10.1021/ic5024482.png)
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Abstract
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It is still largely unknown why intermetallic phases show such a large variety of crystal structures, with unit cell sizes varying between 1 and more than 20 000 atoms. The goal of our study was, therefore, to get a general overview of the symmetries, unit cell sizes, stoichiometries, most frequent structure types, and their stability fields based on the Mendeleev numbers as ordering parameters. A total of 20829 structures crystallizing in 2166 structure types have been studied for this purpose. Thereby, the focus was on a subset of 6441 binary intermetallic compounds, which crystallize in 943 structure types.
Keywords:
ATOMIC-ENVIRONMENT CLASSIFICATION
STRUCTURAL STABILITY DIAGRAM
STRUCTURE MAPS
CRYSTAL-STRUCTURE
BINARY COMPOUNDS
POLYHEDRAL CORE
PREDICTION
TERNARY
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