Detail information of ZnH12C2(N3Cl2)2

Structure

Basic information

Pretty formulaZnH12C2(N3Cl2)2
Full formulaZn2H24C4N12Cl8
TagsBis(guanidinium) tetrachlorozincate
Constituent elementsC; Cl; H; N; Zn;
Number of elements5
Number of sites50
Volume660.46277 Å3
Density1.64619 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.401 Å b12.807 Å c7.228 Å
α93.800° β103.124° γ82.155°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-261.37887 eV -5.22758 eV -0.77437 eV 4.68860 eV 0.00017 eV 0.00000 eV