Dataset for "Low electronic conductivity of Li₇La₃Zr₂O₁₂ solid electrolytes from first principles"

This dataset contains the computational data and analysis for the paper "Low electronic conductivity of Li₇La₃Zr₂O₁₂ solid electrolytes from first principles". It includes input and output files for the DFT calculations, performed using VASP, and lightweight analysis scripts used to produce CSV files used to plot the figures in the associated publication.