Detail information of PH8C2NO4

Structure

Basic information

Pretty formulaPH8C2NO4
Full formulaP4H32C8N4O16
TagsTetrakis(ethanolammonium) cyclo-tetraphosphate(V)
Constituent elementsC; H; N; O; P;
Number of elements5
Number of sites64
Volume606.15273 Å3
Density1.54575 g/cm3
Source Materials Project

Space group

Spacegroup Number82
Hermann MauguinI-4
HallI -4
Crystal SystemTetragonal

Lattice Parameters

a9.244 Å b9.244 Å c9.244 Å
α107.605° β107.605° γ113.272°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-370.67805 eV -5.79185 eV -1.12563 eV 5.33010 eV 0.00000 eV 0.09534 eV