Unusually complex phase of dense nitrogen at extreme conditions

This dataset contains DFT enthalpies (PBE and PBE+TS), Raman spectra and AIRSS search generators supporting the paper “Unusually Complex Phase of Dense Nitrogen at Extreme Conditions” published in Nature Communications.本数据集包含支撑发表于《自然-通讯》（Nature Communications）的论文《极端条件下致密氮的异常复杂相》的密度泛函理论（Density Functional Theory, DFT）焓（PBE与PBE+TS方法）、拉曼光谱以及AIRSS搜索生成器。