Detail information of Fe6P4H17O27

Structure

Basic information

Pretty formulaFe6P4H17O27
Full formulaFe12P8H34O54
TagsIron hydroxide phosphate(V) hydrate (3/2.5/2/3);
Beraunite
Constituent elementsFe; H; O; P;
Number of elements4
Number of sites108
Volume1,070.64637 Å3
Density2.81682 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a10.829 Å b10.829 Å c19.558 Å
α87.652° β92.348° γ152.147°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-654.89468 eV -6.06384 eV -1.89047 eV 1.52360 eV 58.00002 eV 0.01081 eV