Detail information of BaB2H10O9

Structure

Basic information

Pretty formulaBaB2H10O9
Full formulaBa4B8H40O36
TagsBarium bis(tetrahydroxoborate) hydrate
Constituent elementsB; Ba; H; O;
Number of elements4
Number of sites88
Volume1,058.88711 Å3
Density1.96352 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.736 Å b17.930 Å c8.796 Å
α90.000° β90.000° γ94.626°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-482.16746 eV -5.47918 eV -1.58007 eV 0.59580 eV 8.00000 eV 0.35925 eV