Structure

Basic information

Pretty formulaRbFeH4Cl3O2
Full formulaRb4Fe4H16Cl12O8
TagsRubidium iron chloride bis(dideuteriohydrate)
Constituent elementsCl; Fe; H; O; Rb;
Number of elements5
Number of sites44
Volume723.76347 Å3
Density2.60361 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.989 Å b7.040 Å c11.437 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-196.76380 eV -4.47190 eV -1.57369 eV 3.85620 eV 16.00020 eV 0.00000 eV