  Potentially new, single-atom thick semiconducting 2D-graphene-like material,
called Anisotropic-cyclicgraphene, have been generated by the two stage
searching strategy linking molecular and ab initio approach. The candidate
derived from the evolutionary based algorithm and molecular simulations was
then profoundly analysed using first-principles density functional theory from
the structural, mechanical, phonon, and electronic properties point of view.
The proposed polymorph of graphene (rP16-P1m1) is mechanically, dynamically,
and thermally stable and can be semiconducting with a direct band gap of 0.829
eV.
