Detail information of Mg3B11(H3O8)3

Structure

Basic information

Pretty formulaMg3B11(H3O8)3
Full formulaMg12B44H36O96
TagsTrimagnesium pentadecaoxononahydroxoundecaborate;
Preobrazhenskite
Constituent elementsB; H; Mg; O;
Number of elements4
Number of sites188
Volume1,767.13035 Å3
Density2.19845 g/cm3
Source Materials Project

Space group

Spacegroup Number60
Hermann MauguinPbcn
Hall-P 2n 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a17.373 Å b9.843 Å c10.334 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,255.75648 eV -6.67956 eV -2.23275 eV 3.90050 eV 0.00389 eV 0.27335 eV