I am looking to create combinations of compounds (Oxides and Halides). For example ABX3 and A2BB’X6. Here A and B can be of any combination of periodic table (H, He, Li… etc. let say the elements up to atomic number 50) and “X” can specifically (O, F, Cl and Br).
I had created all combinations AB using:
CCA_combos1 = list(itertools.combinations(AB, 2))
and then Oxygen, I have added using for loop:
list1 = [‘O3’]
CCA_combos1_2 = 
for x in range(len(CCA_combos1)):
CCA_combos1_2 += [tuple(CCA_combos1[x]) + tuple(list1)]
This for loop code does’t work well for Br and Cl.
Also I have idea to create a combinations in the form of A2BB’X6. Please suggest the required way to get the desired combinations.
Thanks and Regards