  A large number of novel two-dimensional (2D) materials are constantly
discovered and deposed into the databases. Consolidate implementation of
machine learning algorithms and density functional theory (DFT) based
predictions have allowed creating several databases containing an unimaginable
amount of 2D samples. The next step in this chain, the investigation leads to a
comprehensive study of the functionality of the invented materials. In this
work, a family of transition metal dichlorides has been screened out for
systematical investigation of their structural stability, fundamental
properties, structural defects, and environmental stability via DFT based
calculations. The work highlights the importance of using the potential of the
invented materials and proposes a comprehensive characterization of a new
family of 2D materials.
