Detail information of CsCoH18N6(ClO2)4

Structure

Basic information

Pretty formulaCsCoH18N6(ClO2)4
Full formulaCs1Co1H18N6Cl4O8
TagsCesium hexakis(deuterioammine)cobalt bis(chlorate(VII)) dichloride
Constituent elementsCl; Co; Cs; H; N; O;
Number of elements6
Number of sites38
Volume414.65178 Å3
Density2.25794 g/cm3
Source Materials Project

Space group

Spacegroup Number148
Hermann MauguinR-3
Hall-R 3
Crystal SystemHexagonal

Lattice Parameters

a9.957 Å b9.957 Å c9.957 Å
α42.905° β42.905° γ42.905°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-181.67145 eV -4.78083 eV -0.80706 eV 0.00000 eV 0.00000 eV 0.36371 eV