Detail information of Fe3P2(HO)16

Structure

Basic information

Pretty formulaFe3P2(HO)16
Full formulaFe3P2H16O16
TagsTriiron(III) bis(phosphate(V)) octahydrate;
Vivianite
Constituent elementsFe; H; O; P;
Number of elements4
Number of sites37
Volume317.82735 Å3
Density2.62069 g/cm3
Source Materials Project

Space group

Spacegroup Number12
Hermann MauguinC2/m
Hall-C 2y
Crystal SystemMonoclinic

Lattice Parameters

a9.042 Å b8.424 Å c9.042 Å
α108.764° β84.628° γ148.446°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-211.53753 eV -5.71723 eV -1.72907 eV 3.13050 eV 12.00000 eV 0.01798 eV