Structure

Basic information

Pretty formulaNiH48C16S8(NO7)2
Full formulaNi1H48C16S8N2O14
TagsHexakis(dimethylsulfoxido)nickel dinitrate(V) - dimethyl sulfoxide (1/2)
Constituent elementsC; H; N; Ni; O; S;
Number of elements6
Number of sites89
Volume992.25791 Å3
Density1.35180 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a9.870 Å b10.480 Å c11.416 Å
α63.993° β70.307° γ87.244°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-458.74523 eV -5.15444 eV -0.49240 eV 3.23340 eV 0.00000 eV 0.29451 eV