[CP2K-user] [CP2K:21305] Building 2x2x2 TiNi crystal

[Vee Mvuleni]

Dear everyone,

I hope all is well with all of you and i am bit nervous since i just joined 
the group i hope someone respond to my question. I need assistance with 
building a 2x2x2 TiNi crystal. I initially built a unit cell which had Ti 
at the corners and Ni at the center. I then converted it to a 2x2x2 super 
cell. Now the problem starts because the structure showed something like 
the picture attached, which doesn't display the correct number of atoms(the 
one i think it should be) and the cell formular says Ti8Ni8. How many atoms 
should my structure really have?

I would really appreciate your assistance in this matter.
Thank you in advance

Kind regards
Vee

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