Detail information of CsVH12(C2O7)2

Structure

Basic information

Pretty formulaCsVH12(C2O7)2
Full formulaCs1V1H12C4O14
TagsCesium trans-diaquadioxalatovanadate(III) tetrahydrate
Constituent elementsC; Cs; H; O; V;
Number of elements5
Number of sites32
Volume354.77553 Å3
Density2.19038 g/cm3
Source Materials Project

Space group

Spacegroup Number5
Hermann MauguinC2
HallC 2y
Crystal SystemMonoclinic

Lattice Parameters

a5.978 Å b5.980 Å c10.338 Å
α81.313° β98.654° γ101.892°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-194.07700 eV -6.06491 eV -1.58692 eV 2.56600 eV 2.00000 eV 0.01262 eV