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Herein, the behaviors of CdSnN2 are computationally investigated under uniaxial compressions based on density functional theory (DFT) calculations and a DFT‐1/2 scheme. When the compression is in [100] direction, phase transition is observed from Pna21 to Pnma phase when the compression is larger than 30 GPa, while no phase change is observed for uniaxial compressions along [010] and [001] directions...
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