Fig. 1: Distribution of band gap data at four levels of theory. | npj Computational Materials

Fig. 1: Distribution of band gap data at four levels of theory.

From: High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration

Fig. 1

Raincloud plots (i.e., combined violin plot, box plot, and strip plot) for the DFT-computed band gaps, Eg, of 10,720 structures in the QMOF Database at the PBE, HLE17, HSE06*, and HSE06 levels of theory. The strip plots show all the data at that level of theory (jittered horizontally for ease-of-visualization). The box plots show the extrema (whisker tails), interquartile range (box boundaries), and median (horizontal line). The violin plots show the probability density of the data.

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