Detail information of K2Mo2H12C4N(OF3)3

Structure

Basic information

Pretty formulaK2Mo2H12C4N(OF3)3
Full formulaK4Mo4H24C8N2O6F18
TagsTetramethylammonium dipotassium fluoride bis(tetrafluorooxomolybdate(V)) hydrate
Constituent elementsC; F; H; K; Mo; N; O;
Number of elements7
Number of sites66
Volume885.21162 Å3
Density2.11300 g/cm3
Source Materials Project

Space group

Spacegroup Number39
Hermann MauguinAbm2
HallA 2 -2c
Crystal SystemOrthorhombic

Lattice Parameters

a6.476 Å b12.433 Å c12.433 Å
α117.845° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-345.03257 eV -5.22777 eV -1.40727 eV 0.06260 eV 0.00000 eV 0.27699 eV