Detail information of NiP2H2O7

Structure

Basic information

Pretty formulaNiP2H2O7
Full formulaNi8P16H16O56
TagsDinickel bis(dihydrogendiphosphate(V))
Constituent elementsH; Ni; O; P;
Number of elements4
Number of sites96
Volume1,074.98371 Å3
Density2.89976 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.891 Å b13.023 Å c9.678 Å
α90.000° β106.402° 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
-606.78406 eV -6.32067 eV -2.10936 eV 4.40500 eV 16.00000 eV 0.00000 eV