Detail information of HgH16C6(N2Cl)2

Structure

Basic information

Pretty formulaHgH16C6(N2Cl)2
Full formulaHg2H32C12N8Cl4
TagsBis(ethylammonium) dichlorodicyanomercurate
Constituent elementsC; Cl; H; Hg; N;
Number of elements5
Number of sites58
Volume681.19986 Å3
Density2.02675 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a16.470 Å b6.449 Å c6.449 Å
α93.594° β93.245° γ93.245°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-305.73638 eV -5.27132 eV -0.38132 eV 3.77580 eV 0.00000 eV 0.15415 eV