Detail information of NiH18C4S6(N2O)4

Structure

Basic information

Pretty formulaNiH18C4S6(N2O)4
Full formulaNi4H72C16S24N32O16
TagsTetrakis(thiourea)nickel thiosulfate hydrate
Constituent elementsC; H; N; Ni; O; S;
Number of elements6
Number of sites164
Volume1,854.90679 Å3
Density1.76651 g/cm3
Source Materials Project

Space group

Spacegroup Number19
Hermann MauguinP212121
HallP 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a19.312 Å b10.569 Å c9.088 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-911.97906 eV -5.56085 eV -0.58157 eV 2.52810 eV 8.00244 eV 0.17466 eV