Detail information of Na2PH11O8

Structure

Basic information

Pretty formulaNa2PH11O8
Full formulaNa4P2H22O16
TagsSodium hydrogenphosphate(III) pentahydrate;
Disodium hydrogenphosphate(III) pentahydrate
Constituent elementsH; Na; O; P;
Number of elements4
Number of sites44
Volume430.02766 Å3
Density1.66843 g/cm3
Source Materials Project

Space group

Spacegroup Number31
Hermann MauguinPmn21
HallP 2ac -2
Crystal SystemOrthorhombic

Lattice Parameters

a7.173 Å b6.439 Å c9.310 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-226.72570 eV -5.15286 eV -1.62859 eV 5.26230 eV 0.00000 eV 0.01106 eV