Detail information of Cr3O

Structure

Basic information

Pretty formulaCr3O
Full formulaCr6O2
TagsChromium oxide (3/1)
Constituent elementsCr; O;
Number of elements2
Number of sites8
Volume122.72382 Å3
Density4.65423 g/cm3
Source Materials Project

Space group

Spacegroup Number167
Hermann MauguinR-3c
Hall-R 3 2"c
Crystal SystemHexagonal

Lattice Parameters

a5.667 Å b5.667 Å c5.667 Å
α122.016° β122.016° γ57.984°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-56.22292 eV -7.02787 eV -0.25039 eV 0.00000 eV 0.00000 eV 0.72828 eV