Structure

Basic information

Pretty formulaP6H24N6O19
Full formulaP6H24N6O19
TagsHexaammonium cyclo-hexaphosphate(V) hydrate
Constituent elementsH; N; O; P;
Number of elements4
Number of sites55
Volume535.20890 Å3
Density1.85555 g/cm3
Source Materials Project

Space group

Spacegroup Number148
Hermann MauguinR-3
Hall-R 3
Crystal SystemHexagonal

Lattice Parameters

a9.368 Å b9.368 Å c9.368 Å
α112.979° β112.979° γ112.979°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-321.71481 eV -5.84936 eV -1.51607 eV 0.00000 eV 2.00000 eV 0.09063 eV