Computational Bilayer Database (BiDB)

In this database we employ a density functional theory (DFT) workflow to calculate interlayer binding energies of 8451 homobilayers created by stacking 1052 different monolayers in various configurations. For the 2586 most stable bilayer systems, we provide a range of electronic and magnetic properties. Further information can be found in:

https://arxiv.org/abs/2304.01148