Detail information of LiB5H2O9

Structure

Basic information

Pretty formulaLiB5H2O9
Full formulaLi4B20H8O36
TagsLithium catena-dihydroxopentaborate
Constituent elementsB; H; Li; O;
Number of elements4
Number of sites68
Volume708.05238 Å3
Density1.94190 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a13.748 Å b9.189 Å c5.606 Å
α90.000° β91.470° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-496.50739 eV -7.30158 eV -2.60275 eV 6.08170 eV 0.00000 eV 0.00000 eV