Detail information of K4CuP6(H4O11)2

Structure

Basic information

Pretty formulaK4CuP6(H4O11)2
Full formulaK8Cu2P12H16O44
TagsTetrapotassium copper bis(cyclo-triphosphate) tetrahydrate
Constituent elementsCu; H; K; O; P;
Number of elements5
Number of sites82
Volume1,064.44854 Å3
Density2.38940 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.618 Å b14.501 Å c8.575 Å
α90.000° β96.652° 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
-502.16982 eV -6.12402 eV -2.22220 eV 0.59590 eV 2.00000 eV 0.02412 eV