Detail information of MoH4O5

Structure

Basic information

Pretty formulaMoH4O5
Full formulaMo16H64O80
TagsSidwillite;
Molybdenum oxide dihydrate;
Molybdenum oxide bis(dideuteriohydrate)
Constituent elementsH; Mo; O;
Number of elements3
Number of sites160
Volume1,605.91268 Å3
Density2.97745 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a10.598 Å b14.058 Å c10.783 Å
α90.000° β91.581° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-923.41968 eV -5.77137 eV -1.62573 eV 1.71080 eV 0.00000 eV 0.01816 eV