Detail information of FeH2C4N4Cl6O

Structure

Basic information

Pretty formulaFeH2C4N4Cl6O
Full formulaFe2H4C8N8Cl12O2
TagsTetrakis(methylammonium) hexachloroferrate(II) hydrate
Constituent elementsC; Cl; Fe; H; N; O;
Number of elements6
Number of sites36
Volume835.78122 Å3
Density1.55229 g/cm3
Source Materials Project

Space group

Spacegroup Number32
Hermann MauguinPba2
HallP 2 -2ab
Crystal SystemOrthorhombic

Lattice Parameters

a9.618 Å b12.217 Å c7.112 Å
α89.945° β90.042° γ90.011°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-167.81243 eV -4.66146 eV 0.48719 eV 0.31160 eV 23.77438 eV 1.16359 eV