Detail information of PrP2(HO)7

Structure

Basic information

Pretty formulaPrP2(HO)7
Full formulaPr4P8H28O28
TagsPraseodymium dihydrogenphosphate(I) hydrogenphosphate(III) dihydrate
Constituent elementsH; O; P; Pr;
Number of elements4
Number of sites68
Volume826.98806 Å3
Density2.58547 g/cm3
Source Materials Project

Space group

Spacegroup Number19
Hermann MauguinP212121
HallP 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a6.754 Å b7.221 Å c16.956 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-403.52720 eV -5.93422 eV -1.94013 eV 5.23320 eV 0.00000 eV 0.01921 eV