Detail information of HgH3CSO3

Structure

Basic information

Pretty formulaHgH3CSO3
Full formulaHg4H12C4S4O12
TagsDimercury(I) bis(methylsulfonate)
Constituent elementsC; H; Hg; O; S;
Number of elements5
Number of sites36
Volume489.44337 Å3
Density4.01273 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.978 Å b8.612 Å c8.978 Å
α118.459° β120.354° γ92.243°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-178.19416 eV -4.94984 eV -0.94140 eV 2.80540 eV 0.00002 eV 0.30430 eV