Detail information of NiH44C12N8(ClO5)2

Structure

Basic information

Pretty formulaNiH44C12N8(ClO5)2
Full formulaNi1H44C12N8Cl2O10
TagsHexaaquanickel chloride - hexamethylenetetramine - water (1/2/4)
Constituent elementsC; Cl; H; N; Ni; O;
Number of elements6
Number of sites77
Volume706.89574 Å3
Density1.38624 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.400 Å b9.450 Å c9.505 Å
α119.553° β93.949° γ101.195°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-418.22596 eV -5.43151 eV -0.68700 eV 0.00000 eV 2.00000 eV 0.14459 eV