Hello Guyz,

I have just started learning the DFT studies.I want to make the CIF file of my composite material NiAl LDH/g-C3N4 for the photocatalytic hydrogen production.

I have calculate the lattice constant values from the XRD Raw data file but i am still cinfused and not able to find the values for the xyz atomic positions so that i can make the CIF file of my composite material

Any suggestion or answers in this regrad will be highly appreciated.

If any one having the CIF file related to this material please share.

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