Detail information of FeP3(H2O3)3

Structure

Basic information

Pretty formulaFeP3(H2O3)3
Full formulaFe2P6H12O18
TagsIron(III) hydrogenphosphonate
Constituent elementsFe; H; O; P;
Number of elements4
Number of sites38
Volume423.95924 Å3
Density2.34071 g/cm3
Source Materials Project

Space group

Spacegroup Number9
Hermann MauguinCc
HallC -2yc
Crystal SystemMonoclinic

Lattice Parameters

a7.614 Å b7.614 Å c9.881 Å
α75.681° β104.319° γ129.693°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-228.17454 eV -6.00459 eV -1.82138 eV 2.79250 eV 10.00000 eV 0.06989 eV