Detail information of AlH12(OF)5

Structure

Basic information

Pretty formulaAlH12(OF)5
Full formulaAl2H24O10F10
TagsOxonium trihydrate pentafluoroaluminate
Constituent elementsAl; F; H; O;
Number of elements4
Number of sites46
Volume475.75089 Å3
Density1.49433 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a8.772 Å b3.654 Å c15.725 Å
α87.846° β109.074° γ92.220°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-218.04004 eV -4.74000 eV -1.65766 eV 4.46860 eV 0.00000 eV 0.27601 eV