Structure

Basic information

Pretty formulaMo3O8
Full formulaMo6O16
Tags
Constituent elementsMo; O;
Number of elements2
Number of sites22
Volume321.11573 Å3
Density4.30049 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.192 Å b6.192 Å c10.369 Å
α72.213° β107.787° γ120.360°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-150.72933 eV -6.85133 eV -1.77317 eV 0.99410 eV 0.00000 eV 0.28756 eV