Detail information of FeGe4H24C8(S5N)2

Structure

Basic information

Pretty formulaFeGe4H24C8(S5N)2
Full formulaFe1Ge4H24C8S10N2
TagsBis(tetramethylammonium) decathiotetragermanoferrate(II)
Constituent elementsC; Fe; Ge; H; N; S;
Number of elements6
Number of sites49
Volume671.29966 Å3
Density2.01685 g/cm3
Source Materials Project

Space group

Spacegroup Number82
Hermann MauguinI-4
HallI -4
Crystal SystemTetragonal

Lattice Parameters

a9.969 Å b9.969 Å c9.969 Å
α122.553° β122.553° γ85.632°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-249.87777 eV -5.09955 eV -0.28948 eV 0.26650 eV -4.00000 eV 0.18472 eV