Detail information of FeP2HO7

Structure

Basic information

Pretty formulaFeP2HO7
Full formulaFe4P8H4O28
TagsIron(III) hydrogendiphosphate
Constituent elementsFe; H; O; P;
Number of elements4
Number of sites44
Volume515.68366 Å3
Density2.97272 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.447 Å b8.418 Å c8.424 Å
α90.000° β90.000° γ102.423°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-301.63351 eV -6.85531 eV -2.36342 eV 2.41350 eV 20.00000 eV 0.00908 eV