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We have performed the first-principles calculations to study the elasticity,electronic structure, and magnetism of InNCo3 and InNNi3. The independentelastic constants are derived from the second derivative of total energy as afunction of strain, and the elastic modulus are predicted according to theVoigt-Reuss-Hill approximation. Our calculations show that the bulk modulus ofInNCo3 is slightly larger than that of InNNi3. For InNCo3 the ferromagneticstate is energetically preferable to the paramagnetic state, while the groundstate of InNNi3 is a stable paramagnetic (non-magnetic) state. This is due tothe different strength of 2p-3d hybridization for the N-Co and N-Ni atoms inInNCo3 and InNNi3.

Elastic properties and electronic structures of antiperovskite-type InNCo3 and InNNi3