Detail information of Fe2H13C6NCl2O11

Structure

Basic information

Pretty formulaFe2H13C6NCl2O11
Full formulaFe4H26C12N2Cl4O22
TagsEthylammonium dioxalate hydroxodichlorodiferrste(III) dihydrate
Constituent elementsC; Cl; Fe; H; N; O;
Number of elements6
Number of sites70
Volume843.11459 Å3
Density1.80316 g/cm3
Source Materials Project

Space group

Spacegroup Number9
Hermann MauguinCc
HallC -2yc
Crystal SystemMonoclinic

Lattice Parameters

a8.895 Å b8.895 Å c12.956 Å
α78.052° β101.948° γ63.459°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-415.99802 eV -5.94283 eV -1.20136 eV 2.30560 eV 20.00000 eV 0.09073 eV