Structure

Basic information

Pretty formulaNaNiP2HO7
Full formulaNa6Ni6P12H6O42
Tags
Constituent elementsH; Na; Ni; O; P;
Number of elements5
Number of sites72
Volume776.92916 Å3
Density3.29105 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a6.530 Å b6.525 Å c19.853 Å
α67.459° β84.015° γ88.458°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-455.41317 eV -6.32518 eV -2.27445 eV 4.26320 eV 12.00003 eV 0.00000 eV