Detail information of Na5P3H48C4N(O9F)3

Structure

Basic information

Pretty formulaNa5P3H48C4N(O9F)3
Full formulaNa10P6H96C8N2O54F6
TagsPentasodium tetramethylammonium tris(trioxofluorophosphate(V)) octadecahydrate
Constituent elementsC; F; H; N; Na; O; P;
Number of elements7
Number of sites182
Volume1,727.87191 Å3
Density1.55164 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.487 Å b13.576 Å c19.635 Å
α89.404° β88.906° γ88.092°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-950.87508 eV -5.22459 eV -1.46964 eV 4.46580 eV 0.00541 eV 0.04212 eV