Structure

Basic information

Pretty formulaCuPH6NO5
Full formulaCu4P4H24N4O20
TagsAmmonium copper phosphate(V) hydrate
Constituent elementsCu; H; N; O; P;
Number of elements5
Number of sites56
Volume491.46305 Å3
Density2.62964 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.445 Å b7.619 Å c8.695 Å
α90.000° β94.805° 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
-314.03182 eV -5.60771 eV -1.46049 eV 0.04420 eV 3.99561 eV 0.02632 eV