Detail information of ZnCrH28C6N12Cl5O8

Structure

Basic information

Pretty formulaZnCrH28C6N12Cl5O8
Full formulaZn2Cr2H56C12N24Cl10O16
TagsHexakis(urea)chromium tetrachlorozincate chloride dihydrate
Constituent elementsC; Cl; Cr; H; N; O; Zn;
Number of elements7
Number of sites122
Volume1,410.39678 Å3
Density1.62718 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a10.738 Å b11.007 Å c13.410 Å
α101.525° β101.631° γ108.611°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-698.28525 eV -5.72365 eV -0.96090 eV 3.43580 eV 6.00001 eV 0.01245 eV