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. 2017 Mar 8;18(8):873–877. doi: 10.1002/cphc.201700151

Figure 2.

Figure 2

a) Tests of energy and volume distributions from a trial set of DFT‐ and GAP‐driven structure searches. To enable comparison, all energies given have been re‐computed using DFT. b) Energy–volume plot for the results of our main, much larger structure search, including known (purple, black) and new (green) carbon allotropes. Topology symbols14 such as „dia“ are given for a number of representative known structures. Our search also found lonsdaleite (lon) and a mixed dia/lon stacking sequence that are omitted for clarity; detailed results are given in the Supporting Information.