Structure

Basic information

Pretty formulaNiO2
Full formulaNi2O4
Tags
Constituent elementsNi; O;
Number of elements2
Number of sites6
Volume87.12008 Å3
Density3.45725 g/cm3
Source Materials Project

Space group

Spacegroup Number71
Hermann MauguinImmm
Hall-I 2 2
Crystal SystemOrthorhombic

Lattice Parameters

a4.552 Å b4.983 Å c4.552 Å
α102.424° β66.542° γ77.576°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-24.66527 eV -4.11088 eV -0.08434 eV 0.00000 eV 0.00000 eV 0.55649 eV