Detail information of K4P4(H2O5)3

Structure

Basic information

Pretty formulaK4P4(H2O5)3
Full formulaK8P8H12O30
TagsPotassium dihydrogendiphosphate(V) hemihydrate
Constituent elementsH; K; O; P;
Number of elements4
Number of sites58
Volume791.47969 Å3
Density2.20849 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a9.766 Å b9.766 Å c14.407 Å
α61.438° β118.562° γ137.873°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-351.87807 eV -6.06686 eV -2.30985 eV 5.19580 eV 0.00000 eV 0.01480 eV