Structure

Basic information

Pretty formulaMnO2
Full formulaMn2O4
Tags
Constituent elementsMn; O;
Number of elements2
Number of sites6
Volume70.60032 Å3
Density4.08956 g/cm3
Source Materials Project

Space group

Spacegroup Number166
Hermann MauguinR-3m
Hall-R 3 2"
Crystal SystemHexagonal

Lattice Parameters

a2.920 Å b5.057 Å c5.057 Å
α99.976° β90.015° γ73.963°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-42.53744 eV -7.08957 eV -1.77458 eV 0.00000 eV 0.00000 eV 0.03596 eV