Detail information of FeH4(CO3)2

Structure

Basic information

Pretty formulaFeH4(CO3)2
Full formulaFe2H8C4O12
TagsIron oxalate dihydrate;
Iron oxalate bis(dideuteriohydrate) - alpha;
Humboldtine;
Iron oxalate bis(did
Constituent elementsC; Fe; H; O;
Number of elements4
Number of sites26
Volume266.47648 Å3
Density2.24201 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a6.696 Å b6.696 Å c9.924 Å
α55.744° β124.256° γ130.194°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-165.11663 eV -6.35064 eV -1.54007 eV 2.50920 eV 8.00000 eV 0.00000 eV