Dear Prof. Tran., I have visualized both the "ABX3_super.struct" and "AB0.5C0.5X3.struct" file with Vesta but I could not find whether it is okay or not. But I find the lattice parameters for 2*2*2 ABX3 supercell and AB0.5C0.5X3 are (39.83, 18.50, 67.33), and (67.33, 19.91, 9.25) respectively. These much changes of lattice parameter make me think twice.
-- With regards Anupriya Nyayban Ph.D. Scholar Department of Physics NIT Silchar
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