Detail information of NiH24C2S2(N3O7)2

Structure

Basic information

Pretty formulaNiH24C2S2(N3O7)2
Full formulaNi2H48C4S4N12O28
TagsDiguanidinium hexaaquanickel bis(sulfate(VI));
Nickel guanidinium disulfate hexahydrate
Constituent elementsC; H; N; Ni; O; S;
Number of elements6
Number of sites98
Volume921.32407 Å3
Density1.72688 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a10.062 Å b7.656 Å c12.051 Å
α90.000° β97.050° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-543.53862 eV -5.54631 eV -1.15746 eV 4.96250 eV 4.00007 eV 0.04100 eV