Detail information of NiPH6NO5

Structure

Basic information

Pretty formulaNiPH6NO5
Full formulaNi2P2H12N2O10
TagsTetradeuterioammonium nickel phosphate(V) dideuteriohydrate
Constituent elementsH; N; Ni; O; P;
Number of elements5
Number of sites28
Volume235.44340 Å3
Density2.67610 g/cm3
Source Materials Project

Space group

Spacegroup Number31
Hermann MauguinPmn21
HallP 2ac -2
Crystal SystemOrthorhombic

Lattice Parameters

a5.597 Å b8.848 Å c4.754 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-156.92932 eV -5.60462 eV -1.49209 eV 4.04520 eV 4.00000 eV 0.00903 eV