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Usually, experimental bulk modulus is close to the average value of bulk modulus obtained by GGA and LDA. However, it does not happen in OsN 2 . For OsN 2 , experimental bulk modulus is even lower than that with GGA. Such case suggests that N vacancy or O substitution may exist in synthesized OsN 2 . We clarify this issue by calculating various properties of OsN 2 with...
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