Embedding Tensor for Two-Dimensional Carbon Allotropes

Data set for paper "Graph Embedding Tensor: Unifying Topological Description, Symmetry Detection, and Structure Generation for Two-dimensional Carbon Allotropes".

The embedding tensor approach allows for a coordinate-free search algorithm of 2D carbon allotropes. It also allows for the determination of symmetry and approximate coordinates.

Data provided here are examples of embedding tensors for all structures obtained with up to 14 atoms per unit cell in 2D carbon crystals with threefold atomic coordination. Also included are all the CIF files for the 97 structures including pentagonal and higher rings. The 97 structures are shown in balls-and-sticks representation (with symmetry) in the PDF file included.