Processed datasets for figures in the phonon transport study of La2Zr2O7 and its defect structures

This repository contains the processed datasets used to generate the figures in the study of phonon transport in La₂Zr₂O₇ and its defect structures. The files include phonon lifetimes, participation ratio data, mode classification results (propagons, diffusons, and locons), thermal conductivity data obtained from EMD simulations, and defect formation energies. All datasets have been pre-processed specifically for plotting and do not include raw DFT or MLIP training data.These files are provided to ensure full reproducibility of the figures presented in the manuscript and to facilitate further analysis of defect-induced phonon scattering and thermal transport behavior in pyrochlore oxides.