Structure

Basic information

Pretty formulaVO2
Full formulaV4O8
Tags
Constituent elementsO; V;
Number of elements2
Number of sites12
Volume147.27268 Å3
Density3.74070 g/cm3
Source Materials Project

Space group

Spacegroup Number141
Hermann MauguinI41/amd
HallI 4bw 2bw -1bw
Crystal SystemTetragonal

Lattice Parameters

a5.890 Å b5.891 Å c5.887 Å
α118.674° β87.644° γ61.379°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-91.38829 eV -7.61569 eV -2.32828 eV 0.37330 eV 0.00000 eV 0.15934 eV