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Abstract
The effective formation energies and the effective formation volumes of atomic defects in the ordered compound Ni${}_{x}$Sb${}_{1\ensuremath{-}x}$ in the ${D0}_{3}$ structure are calculated by the statistical mechanics in combination with the ab initio electron theory. For the Sb-rich compounds the structural defect is the Ni vacancy on the $\ensuremath{\alpha}$ sublattice. The stoichiometric compound is a pentadefect system where on the average four Ni vacancies on the \ensuremath{\alpha} sublattice and one Ni antistructure atom are generated. The calculations strongly support the interpretation of results from neutron-scattering experiments.
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