Detail information of KFe3P8(H11O18)2

Structure

Basic information

Pretty formulaKFe3P8(H11O18)2
Full formulaK2Fe6P16H44O72
TagsPotassium triiron(III) bis(hydrogenphosphate(V)) hexakis(dihydrogenphosphate(V)) tetrahydrate
Constituent elementsFe; H; K; O; P;
Number of elements5
Number of sites140
Volume1,493.98673 Å3
Density2.33984 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.814 Å b9.814 Å c18.004 Å
α88.297° β91.703° γ120.448°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-852.97905 eV -6.09271 eV -2.01849 eV 2.80090 eV 30.00000 eV 0.00000 eV