Detail information of VO2

Structure

Basic information

Pretty formulaVO2
Full formulaV4O8
TagsVanadium(IV) oxide;
Paramontroseite
Constituent elementsO; V;
Number of elements2
Number of sites12
Volume135.95095 Å3
Density4.05221 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a2.938 Å b4.950 Å c9.357 Å
α90.035° β87.584° γ89.625°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-92.44057 eV -7.70338 eV -2.41597 eV 0.77580 eV 4.00000 eV 0.07165 eV