Dear User,
I have to create a list of all possible compound in the form of ABO3. Where O is oxygen and A and B can be from these list.
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from periodictable import formula
A = [‘H’,‘Li’,‘B’,‘C’,‘N’,‘O’,‘F’,‘Na’,‘Mg’,‘Al’,‘Si’,‘P’,‘S’,‘Cl’, ‘K’, ‘Ca’, ‘Sc’,‘Ti’,‘V’,‘Cr’,‘Mn’,‘Fe’,‘Co’,‘Ni’,‘Cu’,‘Zn’,‘Ga’,‘Ge’,‘As’,‘Se’,‘Br’]
B = [‘H’,‘Li’,‘B’,‘C’,‘N’,‘O’,‘F’,‘Na’,‘Mg’,‘Al’,‘Si’,‘P’,‘S’,‘Cl’, ‘K’, ‘Ca’, ‘Sc’,‘Ti’,‘V’,‘Cr’,‘Mn’,‘Fe’,‘Co’,‘Ni’,‘Cu’,‘Zn’,‘Ga’,‘Ge’,‘As’,‘Se’,‘Br’]
print(formula( [ (1,[A]), (1,[B]), (3,O)] ))
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Further I want to create a matrix (jupyter notebook) or an excel file where I can call the data like Oxidation state, electron affinity, mass, density etc.
Any suggestion or lead will be highly appreciated.
Thanks and regards
Neelesh G.