NaxCoO2 phase stability and hierarchical orderings in the O3/P3 structure family

The dataset contains VASP calculations for Na-vacancy orderings in various host structures of NaxCoO2 enumerated using the CASM code (https://github.com/prisms-center/CASMcode).本数据集收录了通过CASM代码（https://github.com/prisms-center/CASMcode）枚举得到的NaₓCoO₂不同宿主结构中钠空位有序结构的维也纳从头算模拟包（VASP）计算结果。