Detail information of VH12N3O5F2

Structure

Basic information

Pretty formulaVH12N3O5F2
Full formulaV4H48N12O20F8
TagsAmmonium difluorooxodiperoxovanadate(V)
Constituent elementsF; H; N; O; V;
Number of elements5
Number of sites92
Volume783.91994 Å3
Density1.88991 g/cm3
Source Materials Project

Space group

Spacegroup Number19
Hermann MauguinP212121
HallP 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a6.935 Å b8.434 Å c13.403 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-484.56865 eV -5.26705 eV -1.17413 eV 2.70160 eV 0.00003 eV 0.23071 eV