Detail information of FeH12(NF2)3

Structure

Basic information

Pretty formulaFeH12(NF2)3
Full formulaFe4H48N12F24
TagsTriammonium hexafluoroferrate(III);
Elpasolite-(F)
Constituent elementsF; Fe; H; N;
Number of elements4
Number of sites88
Volume764.00008 Å3
Density1.94701 g/cm3
Source Materials Project

Space group

Spacegroup Number19
Hermann MauguinP212121
HallP 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a9.150 Å b9.140 Å c9.135 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-432.96411 eV -4.92005 eV -1.42070 eV 4.17080 eV 20.00000 eV 0.05028 eV