Detail information of K3VH6C4O13

Structure

Basic information

Pretty formulaK3VH6C4O13
Full formulaK6V2H12C8O26
TagsTripotassium dioxalatodioxovanadate trihydrate
Constituent elementsC; H; K; O; V;
Number of elements5
Number of sites54
Volume685.95298 Å3
Density2.08341 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a7.938 Å b11.713 Å c7.893 Å
α94.402° β110.190° γ91.114°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-339.02514 eV -6.27824 eV -1.75732 eV 2.91860 eV 0.00000 eV 0.09361 eV