In this paper, a layer-like sp²-/sp³-hybridized orthorhombic phase of B₃N₅, named as oA-B₃N₅, is theoretically predicted to be stable at ambient pressure by first-principles calculations. The mechanical and dynamical stability has been confirmed by the elastic constants and phonon frequency curves calculations. The analyses of electronic properties show the metallicity of oA-B₃N₅ originates from the delocalized 2p electrons of sp²-hybridized N atoms, forming several independent 1D conductive channels, giving the 1D metallicity in 3D framework. Furthermore, the incompressibility of oA-B₃N₅ exhibits highly anisotropic, and higher axial incompressibility along the N-N bonds direction comparing to the predicted semiconductor C222₁-B₃N₅.

在本文中，通过第一性原理计算，从理论上预测了层状的B ₃ N _5的sp ^2- / sp ³杂交正交相，称为oA-B ₃ N ₅，在环境压力下是稳定的。机械和动态稳定性已通过弹性常数和声子频率曲线计算得到证实。电子性质分析表明，oA-B ₃ N ₅的金属性源自sp ²的离域2 p电子-杂化的N原子，形成几个独立的1D导电通道，在3D框架中提供1D金属性。此外，与预测的半导体C222 ₁ -B ₃ N ₅相比，oA-B ₃ N ₅的不可压缩性表现出高度的各向异性，并且沿着NN键方向具有更高的轴向不可压缩性。