Detail information of MoH12N3O3F5

Structure

Basic information

Pretty formulaMoH12N3O3F5
Full formulaMo8H96N24O24F40
TagsTriammonium fluoride tetrafluorooxoperoxomolybdate
Constituent elementsF; H; Mo; N; O;
Number of elements5
Number of sites192
Volume1,865.09073 Å3
Density2.08725 g/cm3
Source Materials Project

Space group

Spacegroup Number61
Hermann MauguinPbca
Hall-P 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a16.725 Å b16.240 Å c6.867 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-987.78925 eV -5.14474 eV -1.40023 eV 2.56570 eV 0.00124 eV 0.10294 eV