Detail information of NiH4(IO4)2

Structure

Basic information

Pretty formulaNiH4(IO4)2
Full formulaNi4H16I8O32
TagsNickel iodate dihydrate;
Nickel bis(iodate(V)) bis(dideuteriohydrate) - beta
Constituent elementsH; I; Ni; O;
Number of elements4
Number of sites60
Volume778.94623 Å3
Density3.79055 g/cm3
Source Materials Project

Space group

Spacegroup Number61
Hermann MauguinPbca
Hall-P 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a6.915 Å b9.141 Å c12.323 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-279.51882 eV -4.65865 eV -1.09360 eV 3.02060 eV 7.93118 eV 0.00323 eV