Detail information of CdNi2H24(ClO2)6

Structure

Basic information

Pretty formulaCdNi2H24(ClO2)6
Full formulaCd2Ni4H48Cl12O24
TagsCadmium dinickel chloride dodecahydrate
Constituent elementsCd; Cl; H; Ni; O;
Number of elements5
Number of sites90
Volume982.62455 Å3
Density2.22627 g/cm3
Source Materials Project

Space group

Spacegroup Number143
Hermann MauguinP3
HallP 3
Crystal SystemHexagonal

Lattice Parameters

a9.995 Å b9.976 Å c11.407 Å
α90.274° β89.632° γ120.239°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-406.84296 eV -4.52048 eV -1.31567 eV 4.04760 eV 8.00001 eV 0.02594 eV