Fig. 2 | Scientific Data

Fig. 2

From: QM-sym, a symmetrized quantum chemistry database of 135 kilo molecules

Fig. 2

An overview of the QM-sym database. The proportion of each space group in the QM-sym database is shown on the top. The left inset indicates the distribution of molecules with respect to their size according to the number of atoms and space groups. The right inset corresponds to some of the C3h molecules, with their radius of rotation plotted versus their cohesive energy, and shows a distinct tendency of the cohesive energy to decrease when the rotation radius increases.

Back to article page