We combined the group theory and data mining approach within the Organic Materials Database that leads to the prediction of stable Dirac-point nodes within the electronic band structure of 3-dimensional organic crystals. We find a particular space group P212121 (#19) that is conducive to the Dirac nodes formation. We prove that nodes are a consequence of the orthorhombic crystal structure. Within the electronic band structure, two different kinds of nodes can be distinguished: 8-fold degenerate Dirac nodes protected by the crystalline symmetry and 4-fold degenerate Dirac nodes protected by band topology. Mining the Organic Materials Database, we present band structure calculations and symmetry analysis for 6 previously synthesized organic materials. In all these materials, the Dirac nodes are well separated within the energy and located near the Fermi surface, which opens up a possibility for their direct experimental observation.
@article{arxiv.1611.04316,
title = {Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19},
author = {R. Matthias Geilhufe and Stanislav S. Borysov and Adrien Bouhon and Alexander V. Balatsky},
journal= {arXiv preprint arXiv:1611.04316},
year = {2017}
}