Detail information of P3H22C3N9O11

Structure

Basic information

Pretty formulaP3H22C3N9O11
Full formulaP12H88C12N36O44
TagsTris(guanidinium) cyclo-triphosphate dihydrate
Constituent elementsC; H; N; O; P;
Number of elements5
Number of sites192
Volume2,013.68839 Å3
Density1.49482 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a12.281 Å b15.260 Å c10.837 Å
α90.000° β97.466° γ90.000°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,161.48684 eV -6.04941 eV -1.18891 eV 4.98470 eV 0.00112 eV 0.01328 eV