Structure

Basic information

Pretty formulaMoO3
Full formulaMo4O12
Tags
Constituent elementsMo; O;
Number of elements2
Number of sites16
Volume225.63891 Å3
Density4.23712 g/cm3
Source Materials Project

Space group

Spacegroup Number7
Hermann MauguinPc
HallP -2yc
Crystal SystemMonoclinic

Lattice Parameters

a7.287 Å b5.475 Å c5.656 Å
α90.000° β90.593° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-112.45629 eV -7.02852 eV -2.02076 eV 1.83430 eV 0.00000 eV 0.00271 eV