Fig. 3 | npj Computational Materials

Fig. 3

From: Materials structure genealogy and high-throughput topological classification of surfaces and 2D materials

Fig. 3

Overview of the classification procedure for two-dimensional structures. a The classification starts with detecting the dimensionality of the system. b If a two-dimensional structure is detected, the classification proceeds to find a unit cell that best describes the structure. c This unit cell is then used to track all atoms that belong to the material. d In the final step, the outlier atoms are identified

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