The electron mobility can be estimated by means of the Takagi formula , in terms of the effective mass, whic you can derive from the energy band structure E(k) and other ab-initio-calculated parameters. For more details,
Observed the lowest point of CB and highest point of VB
From the respective K-point calculated the effective mass of electron and hole (Follow the Youtube video: https://www.youtube.com/watch?v=SdGIwzV-A-o)
Considering a trial time constant, tau (as close as for graphene) you may now calculate as electron mobility = (electron charge * tau)/(effective mass of an electron)