Detail information of CaHgH16(BrO2)4

Structure

Basic information

Pretty formulaCaHgH16(BrO2)4
Full formulaCa4Hg4H64Br16O32
TagsCalcium tetrabromo octaaquo mercurate
Constituent elementsBr; Ca; H; Hg; O;
Number of elements5
Number of sites120
Volume1,656.86862 Å3
Density2.82387 g/cm3
Source Materials Project

Space group

Spacegroup Number64
Hermann MauguinCmca
Hall-C 2bc 2
Crystal SystemOrthorhombic

Lattice Parameters

a10.568 Å b10.568 Å c15.090 Å
α90.000° β90.000° γ100.549°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-536.01289 eV -4.46677 eV -1.31632 eV 2.89660 eV 0.00000 eV 0.04969 eV