Abstract
Composition formulae for alloy phases are developed using first-neighbour coordination polyhedra plus their connections. The resultant cluster formulae [cluster](glue atom) x , similar to molecular formulae for chemicals, contain key structural and composition information on the alloy phases. As examples, Al–Ni–Zr alloy phases are analysed with the objective of revealing cluster formula properties such as the principal cluster, the cluster phase and the definition of complex alloy phases.
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