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The effective formation energies of atomic defects in D0 3 -Fe 3 Al are determined within the framework of a grand-canonical statistical method. The grand-canonical defect formation energies entering this method are calculated by the ab-initio mixed-basis pseudopotential method. Thermal vacancies appear on the α sublattice of the Fe atoms with an effective formation energy of 1 25 eV and on the Al sublattice (about 1 4 eV). The structural defects are Al antisite atoms on the γ sublattice of the Fe atoms or Fe antisite atoms on the Al sublattice.