Structure

Basic information

Pretty formulaNiO2
Full formulaNi2O4
Tags
Constituent elementsNi; O;
Number of elements2
Number of sites6
Volume63.61252 Å3
Density4.73485 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a2.809 Å b9.310 Å c2.809 Å
α90.000° β120.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-27.42150 eV -4.57025 eV -0.54371 eV 1.46170 eV 0.00000 eV 0.09711 eV