Detail information of FeP2(H4O5)2

Structure

Basic information

Pretty formulaFeP2(H4O5)2
Full formulaFe2P4H16O20
TagsIron(II) dihydrogenphosphate dihydrate
Constituent elementsFe; H; O; P;
Number of elements4
Number of sites42
Volume422.65081 Å3
Density2.24613 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.219 Å b9.748 Å c6.066 Å
α90.000° β81.906° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-244.73192 eV -5.82695 eV -1.78940 eV 4.34790 eV 8.00000 eV 0.09679 eV