Detail information of Be(B3H8)2

Structure

Basic information

Pretty formulaBe(B3H8)2
Full formulaBe4B24H64
TagsBeryllium bis(octahydridotriborate)
Constituent elementsB; Be; H;
Number of elements3
Number of sites92
Volume1,028.99085 Å3
Density0.58099 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a11.503 Å b7.677 Å c12.240 Å
α90.000° β107.832° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-389.59733 eV -4.23475 eV -0.07664 eV 3.49940 eV 0.00046 eV 0.11763 eV