Structure

Basic information

Pretty formulaLi66Be24H35
Full formulaLi66Be24H35
TagsUndecalithium tetraberyllium hydride
Constituent elementsBe; H; Li;
Number of elements3
Number of sites125
Volume1,450.82948 Å3
Density0.81226 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a10.961 Å b10.458 Å c12.711 Å
α88.215° β94.940° γ89.406°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-334.45379 eV -2.67563 eV -0.04455 eV 0.00000 eV 1.00212 eV 0.22580 eV