Detail information of Ni2P2O7

Structure

Basic information

Pretty formulaNi2P2O7
Full formulaNi8P8O28
TagsDinickel diphosphate(V) - alpha
Constituent elementsNi; O; P;
Number of elements3
Number of sites44
Volume480.97843 Å3
Density4.02317 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.988 Å b8.320 Å c8.922 Å
α90.000° β112.004° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-284.53829 eV -6.46678 eV -2.13321 eV 3.60300 eV 16.00000 eV 0.00000 eV