Materials Cartography


We have introduced novel materials descriptors that encode band structures (B-fingerprints), density of states (D-fingerprints), as well as crystallographic and constitutional information of materials. We employed materials fingerprints to visualize large collections of materials as a contact network, or Materials Cartograms. In the cartogram, the nodes of the network are individual materials, and similar materials are connected by an edge. Two materials (nodes) are connected only when the similarity of their fingerprints is above certain threshold.