Detail information of MoH12N3O5F3

Structure

Basic information

Pretty formulaMoH12N3O5F3
Full formulaMo4H48N12O20F12
TagsTriammonium fluoride difluorooxodiperoxomolybdate
Constituent elementsF; H; Mo; N; O;
Number of elements5
Number of sites96
Volume943.86371 Å3
Density2.02001 g/cm3
Source Materials Project

Space group

Spacegroup Number19
Hermann MauguinP212121
HallP 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a6.839 Å b8.824 Å c15.641 Å
α90.000° β90.000° γ90.000°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-499.09169 eV -5.19887 eV -1.21998 eV 2.80200 eV 0.00041 eV 0.20836 eV