Detail information of HgH4C4(NCl2)2

Structure

Basic information

Pretty formulaHgH4C4(NCl2)2
Full formulaHg4H16C16N8Cl16
TagsBis(dimethylammonium) tetrachloromercurate
Constituent elementsC; Cl; H; Hg; N;
Number of elements5
Number of sites60
Volume1,491.05807 Å3
Density1.88205 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a8.654 Å b11.871 Å c14.523 Å
α90.000° β92.011° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-262.96955 eV -4.38283 eV 0.35617 eV 2.47040 eV 0.00015 eV 0.95914 eV