Detail information of KAlH6(OF3)2

Structure

Basic information

Pretty formulaKAlH6(OF3)2
Full formulaK4Al4H24O8F24
TagsPotassium dioxonium hexafluoroaluminate
Constituent elementsAl; F; H; K; O;
Number of elements5
Number of sites64
Volume665.14560 Å3
Density2.17812 g/cm3
Source Materials Project

Space group

Spacegroup Number205
Hermann MauguinPa-3
Hall-P 2ac 2ab 3
Crystal SystemCubic

Lattice Parameters

a8.729 Å b8.729 Å c8.729 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-319.45551 eV -4.99149 eV -2.41180 eV 6.97660 eV -0.00009 eV 0.00000 eV