A novel square planar N₄²⁻ ring with aromaticity in BeN₄

A structural search leads to the prediction of a novel alkaline earth nitride BeN 4 containing square planar N 2− ring. This compound has particular chemical bonding pattern giving it potential as high-energy-density material. The P4/ nmm phase may be stable under ambient conditions, with bandgap 3.72 eV. It is predicted have high thermodynamic and kinetic stability due transfer outer-shell s electrons Be atom cluster, 2 p orbital accommodating lone-pair . total six π most striking feature, indicating that exhibits aromaticity. Under energy density (3.924 kJ/g relative 3 gas), its synthesis might possible at pressures above 31.6 GPa.