Detail information of NiH16C2S3N6O7

Structure

Basic information

Pretty formulaNiH16C2S3N6O7
Full formulaNi2H32C4S6N12O14
TagsNickel dithiosemicarbazide sulfate(VI) trihydrate
Constituent elementsC; H; N; Ni; O; S;
Number of elements6
Number of sites70
Volume752.07210 Å3
Density1.72694 g/cm3
Source Materials Project

Space group

Spacegroup Number11
Hermann MauguinP21/m
Hall-P 2yb
Crystal SystemMonoclinic

Lattice Parameters

a7.040 Å b16.630 Å c6.538 Å
α90.000° β100.713° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-384.87598 eV -5.49823 eV -0.82306 eV 2.03630 eV 4.00011 eV 0.18094 eV