Structure

Basic information

Pretty formulaCsFeH4Cl3O2
Full formulaCs4Fe4H16Cl12O8
TagsCesium iron chloride bis(dideuteriohydrate)
Constituent elementsCl; Cs; Fe; H; O;
Number of elements5
Number of sites44
Volume769.63974 Å3
Density2.85781 g/cm3
Source Materials Project

Space group

Spacegroup Number54
Hermann MauguinPcca
Hall-P 2a 2ac
Crystal SystemOrthorhombic

Lattice Parameters

a9.058 Å b7.328 Å c11.594 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-196.88513 eV -4.47466 eV -1.58642 eV 3.82190 eV 16.00000 eV 0.00000 eV