Detail information of ZnH16C6S2(N2Cl)2

Structure

Basic information

Pretty formulaZnH16C6S2(N2Cl)2
Full formulaZn2H32C12S4N8Cl4
TagsDichlorobis(1,3-dimethylthiourea-kappaS)zinc
Constituent elementsC; Cl; H; N; S; Zn;
Number of elements6
Number of sites62
Volume729.64029 Å3
Density1.56879 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.040 Å b8.040 Å c12.644 Å
α76.042° β103.958° γ111.021°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-329.52067 eV -5.31485 eV -0.44278 eV 4.14050 eV 0.00000 eV 0.11521 eV