Detail information of ZnH12C6S2(N5O)2

Structure

Basic information

Pretty formulaZnH12C6S2(N5O)2
Full formulaZn2H24C12S4N20O4
TagsZinc bis(cyanoguanidine) bis(thiocyanate) dihydrate
Constituent elementsC; H; N; O; S; Zn;
Number of elements6
Number of sites66
Volume798.79871 Å3
Density1.60385 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a10.022 Å b10.022 Å c18.737 Å
α67.706° β112.294° γ152.542°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-414.15228 eV -6.27504 eV -0.46447 eV 3.77950 eV 0.00000 eV 0.09517 eV