Detail information of Fe3P8H26NO36

Structure

Basic information

Pretty formulaFe3P8H26NO36
Full formulaFe6P16H52N2O72
TagsAmmonium triiron(III) hexakis(dihydrogenphosphate(V)) bis(hydrogenphosphate(V)) tetrahydrate
Constituent elementsFe; H; N; O; P;
Number of elements5
Number of sites148
Volume1,469.17336 Å3
Density2.33175 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.900 Å b9.900 Å c16.953 Å
α88.963° β91.037° γ117.821°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-870.29628 eV -5.88038 eV -1.75865 eV 1.39890 eV 30.00094 eV 0.15815 eV