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The  Fddd -SrN 6  structure can transform into  P 1̄-SrN 6 , and polymerized to infinite nitrogen chain structures at  P  = 22 GPa. For BaN 6 , the  Fmmm- BaN 6  structure can transform into  C 2/ m- BaN 6 , and polymerized to N 6  ring network structure at  P  = 110 GPa.

rsc advances

Pressure-induced stability and polymeric nitrogen in alkaline earth metal N-rich nitrides (XN<sub>6</sub>, X = Ca, Sr and Ba): a first-principles study

Pressure-induced stability and polymeric nitrogen in alkaline earth metal N-rich nitrides (XN6, X = Ca, Sr and Ba): a first-principles study

Pressure-induced stability and polymeric nitrogen in alkaline earth metal N-rich nitrides (XN₆, X = Ca, Sr and Ba): a first-principles study