Detail information of RbVH4(OF2)2

Structure

Basic information

Pretty formulaRbVH4(OF2)2
Full formulaRb2V2H8O4F8
TagsRubidium tetrafluorovanadate(III) dihydrate
Constituent elementsF; H; O; Rb; V;
Number of elements5
Number of sites24
Volume296.06865 Å3
Density2.78674 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.799 Å b9.307 Å c6.799 Å
α60.145° β123.473° γ119.855°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-126.64079 eV -5.27670 eV -2.32097 eV 2.54470 eV 3.99995 eV 0.00000 eV