This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• 2D_materials.tar.gz: We provide 258 two-dimensional crystal structures (lattice vectors, atomic species and positions), exfoliated from three-dimensional experimental crystal structures. The structures were relaxed at the DFT-PBE level. Together with each structure, a set of materials properties is also given (at the DFT-PBE level): chemical formula, spacegroup, structural prototype, magnetic state, magnetization, band-gap, electronic bands, and phonon dispersions. In addition, we provide a table containing the 3D parents (chemical formula, spacegroup, source database and ID, and binding energies) of all 1825 easily and potentially exfoliable materials.
• two_dimensional_database.aiida: Full database and its provenance, in the form of an AiiDA export file (generated with AiiDA v0.10.0rc3). Note that the ICSD initial structures are protected by copyright and were therefore not included.
• LICENSE.txt: Information on the licensing of the pseudopotential files distributed with this entry.