In Fig. , we show the crystal lattice and space group data distribution in the JDFT database and a comparison of several simulated XRD patterns with experimental measurements. In Fig. , we observe that most of the crystals are cubic, while the least number belongs to the triclinic lattice out of the seven crystal systems. Similarly, out of 230 space groups, 225, which belong to the cubic lattice system, is prevalent. Such analysis provides a basic understanding of the predictive limits of the models. For instance, if the model is trained with a sufficiently large cubic dataset but not with a triclinic dataset, it might generalize well for cubic systems but not for triclinic ones.