Detail information of FeH16C4(NCl2)2

Structure

Basic information

Pretty formulaFeH16C4(NCl2)2
Full formulaFe4H64C16N8Cl16
TagsBis(dimethylammonium) tetrachloridoferrate(II);
Bis(dimethylammonium) tetrachloroferrate(II)
Constituent elementsC; Cl; Fe; H; N;
Number of elements5
Number of sites108
Volume1,333.03615 Å3
Density1.44420 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a7.989 Å b11.425 Å c14.674 Å
α90.000° β95.596° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-535.60533 eV -4.95931 eV -0.58453 eV 0.00110 eV 16.29471 eV 0.02796 eV