Detail information of CaH8(ClO2)2

Structure

Basic information

Pretty formulaCaH8(ClO2)2
Full formulaCa2H16Cl4O8
TagsCalcium chloride tetrahydrate - alpha
Constituent elementsCa; Cl; H; O;
Number of elements4
Number of sites30
Volume332.49820 Å3
Density1.82830 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.516 Å b6.427 Å c8.592 Å
α97.856° β92.385° γ110.410°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-144.29664 eV -4.80989 eV -1.65274 eV 5.13710 eV -0.00004 eV 0.01849 eV