Structure

Basic information

Pretty formulaMoH8N2O5F2
Full formulaMo2H16N4O10F4
TagsDiammonium difluorooxodiperoxomolybdate
Constituent elementsF; H; Mo; N; O;
Number of elements5
Number of sites36
Volume377.44386 Å3
Density2.19981 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a8.967 Å b7.621 Å c5.957 Å
α90.089° β111.001° γ96.230°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-189.29043 eV -5.25807 eV -1.19354 eV 2.70420 eV 0.00000 eV 0.30826 eV