Electronegativity data

Dear MP users,

In my case, I need to use electronegativity of compounds as predictors. Could you please give me some suggestions on how to retrieve the value of electronegativity from MP dataset? Thank you!

Hao Zhang

Hi Hao Zhang,

You can use pymatgen to get electronegativities. Here is an example:

from pymatgen import Composition
comp = Composition('LiFePO4')
# You can get the average electronetativity of a composition:
# Or print electronegativity of each element explicitly:
for el in comp.keys():
    print(el, el.X)

Thank you very much. It helps me. Can you tell me where I can read all the functions supported by Composition or Element? Thank you.

You can check out the doc strings in the source code here and here to see the attributes/methods that you can access with these Classes.

In general, if you plan to use pymatgen, I highly recommend checking the pymatgen website at http://pymatgen.org to see the variety of capabilities it offers.