Structure

Basic information

Pretty formulaNiO
Full formulaNi2O2
TagsNickel oxide;
Bunsenite
Constituent elementsNi; O;
Number of elements2
Number of sites4
Volume37.15666 Å3
Density6.67607 g/cm3
Source Materials Project

Space group

Spacegroup Number225
Hermann MauguinFm-3m
Hall-F 4 2 3
Crystal SystemCubic

Lattice Parameters

a2.975 Å b5.142 Å c2.975 Å
α106.816° β120.000° γ73.184°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-19.42970 eV -4.85742 eV -0.93424 eV 2.31750 eV 0.00000 eV 0.00000 eV