Detail information of CaB2(HO)8

Structure

Basic information

Pretty formulaCaB2(HO)8
Full formulaCa2B4H16O16
TagsCalcium bis(tetrahydroxoborate)
Constituent elementsB; Ca; H; O;
Number of elements4
Number of sites38
Volume303.74155 Å3
Density2.16227 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.816 Å b5.672 Å c8.464 Å
α113.279° β101.706° γ108.184°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-226.25394 eV -5.95405 eV -1.99934 eV 5.41760 eV 0.00000 eV 0.03759 eV