Fig. 6 | npj Computational Materials

Fig. 6

From: Machine-learning the configurational energy of multicomponent crystalline solids

Fig. 6

The figure shows the predicted values for the formation energies of a test data set based on models that are fit using a neural network. The model is fit with features consisting of five pair correlations and one point feature. The full data set from the synthetic cluster expansion is plotted as circles while predicted test data is plotted as green crosses. The orange circles represent configurations on the convex hull of the synthetic cluster expansion while the orange crosses represent configurations on the predicted convex hull

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