Detail information of CaH8(ClO2)2

Structure

Basic information

Pretty formulaCaH8(ClO2)2
Full formulaCa6H48Cl12O24
TagsCalcium chloride tetrahydrate - beta
Constituent elementsCa; Cl; H; O;
Number of elements4
Number of sites90
Volume1,083.28752 Å3
Density1.68351 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.039 Å b10.266 Å c12.902 Å
α90.000° β115.204° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-432.83479 eV -4.80928 eV -1.65213 eV 5.18350 eV 0.00000 eV 0.01911 eV