When we restrict the dataset to contain only data-samples for Nb concentrations below 0.2 and above 0.8, the predictive performance of the HydraGNN model to estimate the bulk modulus improves, attaining a test MAE equal to 1.9219 GPa. The scatterplot of the predictions is shown in Figure . This is indicative of the fact that structural displacements are less commonly occurring in more regularly ordered crystal structures, and therefore outliers are less common in these structures that conform to a more regular Ni or Nb crystal lattice.