Detail information of CaZn2H12(BrO)6

Structure

Basic information

Pretty formulaCaZn2H12(BrO)6
Full formulaCa2Zn4H24Br12O12
TagsHexaaquacalcium hexabromodizincate
Constituent elementsBr; Ca; H; O; Zn;
Number of elements5
Number of sites54
Volume965.19271 Å3
Density2.60958 g/cm3
Source Materials Project

Space group

Spacegroup Number12
Hermann MauguinC2/m
Hall-C 2y
Crystal SystemMonoclinic

Lattice Parameters

a8.650 Å b8.650 Å c14.117 Å
α73.632° β106.368° γ100.989°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-230.02834 eV -4.25978 eV -1.34927 eV 3.59490 eV 0.00000 eV 0.00915 eV