Detail information of VH7(CO2)4

Structure

Basic information

Pretty formulaVH7(CO2)4
Full formulaV2H14C8O16
TagsBis(diaquahydroxovanadium(III) squarate) dihydrate
Constituent elementsC; H; O; V;
Number of elements4
Number of sites40
Volume413.49083 Å3
Density1.87972 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.667 Å b7.688 Å c8.296 Å
α107.090° β94.640° γ114.533°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-255.05279 eV -6.37632 eV -1.33423 eV 1.89480 eV 4.00000 eV 0.11755 eV