Structure

Basic information

Pretty formulaMoO2
Full formulaMo2O4
Tags
Constituent elementsMo; O;
Number of elements2
Number of sites6
Volume83.20465 Å3
Density5.10662 g/cm3
Source Materials Project

Space group

Spacegroup Number12
Hermann MauguinC2/m
Hall-C 2y
Crystal SystemMonoclinic

Lattice Parameters

a3.125 Å b5.009 Å c5.693 Å
α100.153° β90.000° γ71.825°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-43.11437 eV -7.18573 eV -1.91980 eV 0.77490 eV 0.00000 eV 0.23051 eV