Dataset of topological low-symmetry organic compounds, as identified by a high throughput framework based on tight-binding calculations on neutral compounds. Currently containing information on 1-dimensional periodic systems. The HDF5 files are split up according to number of atoms per unit cell. Each HDF5 file, contains groups corresponding to POSCAR files. Each group has the associated metadata (# of atoms, nx, ny, lx,ly, width, symmetry…), stored as HDF5 attributes. Since objects or files cannot be stored in HDF5 files, each POSCAR file is loaded as an ase.atoms.Atoms object and then this object is broken into 4 arrays (“symbols”, “pbc”, “cell”, “positions”) and stored in HDF5 datasets in the POSCAR group. To access the POSCAR information, create an ase.atoms.Atoms object with the 4 datasets as the initial attributes. Work performed at the Center for Nanoscale Materials, an Office of Science user facility, and supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This material is based upon work supported by Laboratory Directed Research and Development (LDRD) funding from Argonne National Laboratory, provided by the Director, Office of Science, of the U.S. Department of Energy under Contract No. DE-AC02-06CH11357.