Structure

Basic information

Pretty formulaNiO2
Full formulaNi2O4
Tags
Constituent elementsNi; O;
Number of elements2
Number of sites6
Volume91.40568 Å3
Density3.29516 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a2.809 Å b4.865 Å c6.883 Å
α96.766° β78.227° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-27.46270 eV -4.57712 eV -0.55058 eV 1.78540 eV 0.00000 eV 0.09025 eV