There are various proprietary databases that contain PXRD and atomic structure information. However, in this work, we choose to use the publicly available JARVIS-DFT dataset for proof of concept. Note that although a simulated PXRD database is used here, it can be easily extended to include experimental data in the future. Analyzing the accuracy of the simulated PXRD compared to experimental results is important. In Fig. data is from JDFT with ID JVASP-1002. All the simulation and experimental data were rescaled between 0 and 1 based on the maximum height available in that pattern for uniform comparison. We can observe close agreement between the simulated (Sim.) and experimental (Exp.) patterns, suggesting high fidelity of the simulated data. We note that the relative peak heights may not be exactly identical for all the peaks, which can be attributed to the collection of crystal planes encountered during PXRD experiments.