Detail information of KCaP3(HO2)6

Structure

Basic information

Pretty formulaKCaP3(HO2)6
Full formulaK4Ca4P12H24O48
TagsDicalcium dipotassium cyclo-hexaphosphate(V) hexahydrate
Constituent elementsCa; H; K; O; P;
Number of elements5
Number of sites92
Volume1,083.50996 Å3
Density2.26903 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a7.357 Å b12.067 Å c12.514 Å
α90.000° β102.773° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-568.55740 eV -6.17997 eV -2.28648 eV 5.23050 eV 0.00155 eV 0.04498 eV