Detail information of NaH18C9I(NO)3

Structure

Basic information

Pretty formulaNaH18C9I(NO)3
Full formulaNa2H36C18I2N6O6
Tags
Constituent elementsC; H; I; N; Na; O;
Number of elements6
Number of sites70
Volume1,093.91639 Å3
Density1.11162 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a11.837 Å b11.641 Å c9.080 Å
α88.059° β92.326° γ118.935°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-366.83714 eV -5.24053 eV -0.07672 eV 0.16620 eV 4.00000 eV 0.57433 eV