Structure

Basic information

Pretty formulaMnO2
Full formulaMn2O4
Tags
Constituent elementsMn; O;
Number of elements2
Number of sites6
Volume69.90845 Å3
Density4.13003 g/cm3
Source Materials Project

Space group

Spacegroup Number164
Hermann MauguinP-3m1
Hall-P 3 2"
Crystal SystemHexagonal

Lattice Parameters

a2.931 Å b2.931 Å c9.396 Å
α90.002° β89.999° γ120.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-42.63335 eV -7.10556 eV -1.79057 eV 1.52100 eV 0.00000 eV 0.01997 eV