Dear Wein users I have a unit cell with formula A2BO4 (7 atoms). I need to dope 25% of C at A site (A1.5C0.5BO4). To get required composition I need to generate 14 atoms in supercell. While trying to generate supercell in Wein2K, only possible number of atoms (6, 8, 16, 32, 24, 48 atoms) can be generated. Q-1 How to generate a supercell having 14 atoms or multiple of it? Q-2 Using existing possibility to generate a supercell, can I have composition A1.5C0.5BO4?
Kindly help me. With Regards
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