Structure

Basic information

Pretty formulaCrO2
Full formulaCr2O4
Tags
Constituent elementsCr; O;
Number of elements2
Number of sites6
Volume69.92064 Å3
Density3.98957 g/cm3
Source Materials Project

Space group

Spacegroup Number12
Hermann MauguinC2/m
Hall-C 2y
Crystal SystemMonoclinic

Lattice Parameters

a2.986 Å b9.437 Å c2.907 Å
α89.736° β119.767° γ99.148°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-43.36228 eV -7.22705 eV -1.86304 eV 0.33670 eV -0.00243 eV 0.19124 eV