Detail information of NaB5(H2O5)2

Structure

Basic information

Pretty formulaNaB5(H2O5)2
Full formulaNa4B20H16O40
TagsSodium closo-tetrahydroxohexaoxopentaborate
Constituent elementsB; H; Na; O;
Number of elements4
Number of sites80
Volume902.15092 Å3
Density1.77490 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.775 Å b8.188 Å c13.098 Å
α90.000° β106.535° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-552.80970 eV -6.91012 eV -2.41028 eV 5.57230 eV 0.00090 eV 0.00000 eV