Detail information of CaH8(BrO6)2

Structure

Basic information

Pretty formulaCaH8(BrO6)2
Full formulaCa2H16Br4O24
TagsTetraaquacalcium bis(bromate(VII))
Constituent elementsBr; Ca; H; O;
Number of elements4
Number of sites46
Volume739.71166 Å3
Density1.79562 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a5.694 Å b9.703 Å c14.586 Å
α72.827° β81.561° γ100.469°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-213.79088 eV -4.64763 eV -1.08370 eV 0.23680 eV 5.99321 eV 0.00000 eV