Detail information of Na3Bi2H42C18I9(N2O3)3

Structure

Basic information

Pretty formulaNa3Bi2H42C18I9(N2O3)3
Full formulaNa6Bi4H84C36I18N12O18
TagsTris(aquabis(N,N-dimethylformamido)sodium) nonaiododibismuthate(III)
Constituent elementsBi; C; H; I; N; Na; O;
Number of elements7
Number of sites178
Volume2,899.23545 Å3
Density2.42346 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a13.571 Å b13.629 Å c19.055 Å
α70.795° β72.699° γ62.172°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-908.33390 eV -5.10300 eV -0.45901 eV 0.41450 eV 11.94087 eV 0.29890 eV