Detail information of LiBH2C4O9

Structure

Basic information

Pretty formulaLiBH2C4O9
Full formulaLi8B8H16C32O72
TagsLithium bis(oxalato)borate hydrate
Constituent elementsB; C; H; Li; O;
Number of elements5
Number of sites136
Volume1,479.25955 Å3
Density1.90209 g/cm3
Source Materials Project

Space group

Spacegroup Number61
Hermann MauguinPbca
Hall-P 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a16.267 Å b16.078 Å c5.656 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-960.52701 eV -7.06270 eV -1.76459 eV 3.35100 eV 0.00328 eV 0.09425 eV