Detail information of KAl2P2H5O11

Structure

Basic information

Pretty formulaKAl2P2H5O11
Full formulaK4Al8P8H20O44
TagsPotassium dialuminium bis(phosphate) deuteriooxide bis(dideuteriohydrate)
Constituent elementsAl; H; K; O; P;
Number of elements5
Number of sites84
Volume900.13504 Å3
Density2.47968 g/cm3
Source Materials Project

Space group

Spacegroup Number19
Hermann MauguinP212121
HallP 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a9.289 Å b9.797 Å c9.891 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-535.64860 eV -6.37677 eV -2.46393 eV 5.08790 eV 0.00000 eV 0.00695 eV