Structure

Basic information

Pretty formulaNiPH4ClO3
Full formulaNi8P8H32Cl8O24
TagsNickel chloride dihydrogenphosphate(I) hydrate
Constituent elementsCl; H; Ni; O; P;
Number of elements5
Number of sites80
Volume931.15267 Å3
Density2.52732 g/cm3
Source Materials Project

Space group

Spacegroup Number61
Hermann MauguinPbca
Hall-P 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a7.346 Å b13.282 Å c9.544 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-388.43533 eV -4.85544 eV -1.26236 eV 3.97600 eV 16.00096 eV 0.18328 eV