Detail information of NiH12SO10

Structure

Basic information

Pretty formulaNiH12SO10
Full formulaNi4H48S4O40
TagsNickel sulfate(VI) hexahydrate;
Nickel sulfate(VI) hexakis(dideuteriohydrate);
Hexakis(dideuterioaqua
Constituent elementsH; Ni; O; S;
Number of elements4
Number of sites96
Volume849.45471 Å3
Density2.05529 g/cm3
Source Materials Project

Space group

Spacegroup Number96
Hermann MauguinP43212
HallP 4nw 2abw
Crystal SystemTetragonal

Lattice Parameters

a6.806 Å b6.806 Å c18.336 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
-495.34781 eV -5.15987 eV -1.45361 eV 5.06000 eV 8.00062 eV 0.00138 eV