Detail information of Ca2CdH24(ClO2)6

Structure

Basic information

Pretty formulaCa2CdH24(ClO2)6
Full formulaCa4Cd2H48Cl12O24
TagsCalcium hexachlorocadmate dodecahydrate
Constituent elementsCa; Cd; Cl; H; O;
Number of elements5
Number of sites90
Volume1,060.33202 Å3
Density1.94651 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a8.842 Å b10.256 Å c12.747 Å
α90.000° β113.475° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-422.42951 eV -4.69366 eV -1.56061 eV 4.24190 eV 0.00000 eV 0.02348 eV