Structure

Basic information

Pretty formulaCuH12(BrO6)2
Full formulaCu4H48Br8O48
TagsHexaaquacopper bis(bromate)
Constituent elementsBr; Cu; H; O;
Number of elements4
Number of sites108
Volume1,179.54931 Å3
Density2.40697 g/cm3
Source Materials Project

Space group

Spacegroup Number205
Hermann MauguinPa-3
Hall-P 2ac 2ab 3
Crystal SystemCubic

Lattice Parameters

a10.566 Å b10.566 Å c10.566 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-454.95265 eV -4.21253 eV -0.61885 eV 0.00000 eV -4.50065 eV 0.42449 eV