Fig. 2 | Scientific Data

Fig. 2

From: 3DSC - a dataset of superconductors including crystal structures

Fig. 2

Examples of SuperCon entries and respective candidate crystal structures before artificial doping. The checkmark shows if it is possible to use artificial doping to modify the chemical formula of the crystal structure (top) to fit the chemical formula of the SuperCon entry (bottom). The numbers on the atoms denote each set of crystal sites with the same Wyckoff position. (a) shows a crystal with only one Wyckoff position for all Rh sites, (b) shows a crystal with two different Wyckoff positions for the Bi sites, (c) would generate a crystal structure with three elements on one site, and (d) would require an additional crystal site.

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