It’s well known that crystalline MoS2
has three phases, 1T-MoS2
, 2H-MoS2
, and 3R-MoS2
as described here, here, and here.
But I noticed that the following function ase.build.mx2
only has the two options for its parameter kind
: {‘2H’ , ‘1T’}, as described in ASE’s official document.
So, I wonder why there isn’t a 3R
kind provided in the ase.build.mx2
?
Regards,
Zhao