Detail information of Fe3P2(H2O3)4

Structure

Basic information

Pretty formulaFe3P2(H2O3)4
Full formulaFe6P4H16O24
TagsLudlamite;
Triiron bis(phosphate(V)) tetrahydrate;
Ludlamite, ferromagnetic
Constituent elementsFe; H; O; P;
Number of elements4
Number of sites50
Volume466.31707 Å3
Density3.05915 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a10.684 Å b4.723 Å c9.394 Å
α90.000° β100.324° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-305.18132 eV -6.10363 eV -1.91518 eV 3.71330 eV 24.00000 eV 0.00285 eV