Metallic nitride azafullerenes: A novel class of fullerenes with interesting electronic properties

► MNAFs have the same steric effect trend with MNFs. ► LUMO properties of both MNFs and MNAFs are comparable. ► HOMO properties of MNFs and MNAFs are of considerable difference. ► MNAFs are better than MNFs and some azafullerenes to make n-type electronic devices.