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We report the results of density functional theory calculations on the atomic and electronic structure of solids formed by assembling A 2 B 2 PN (A = Ge and Sn, B = Cl, Br, and I) inorganic double helices.

Atomic and electronic structure of solids of Ge2Br2PN, Ge2I2PN, Sn2Cl2PN, Sn2Br2PN and Sn2I2PN inorganic double helices: a first principles study