Detail information of SiPH18C6INCl

Structure

Basic information

Pretty formulaSiPH18C6INCl
Full formulaSi4P4H72C24I4N4Cl4
TagsTrimethylsilyltrimethylphosphoraneimine - iodine chloride (1/1)
Constituent elementsC; Cl; H; I; N; P; Si;
Number of elements7
Number of sites116
Volume1,492.49857 Å3
Density1.44917 g/cm3
Source Materials Project

Space group

Spacegroup Number45
Hermann MauguinIba2
HallI 2 -2c
Crystal SystemOrthorhombic

Lattice Parameters

a13.259 Å b13.259 Å c13.259 Å
α108.784° β88.401° γ134.902°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-583.98261 eV -5.03433 eV -0.37144 eV 2.75350 eV 0.00277 eV 0.05383 eV