Structure

Basic information

Pretty formulaFePH6NO5
Full formulaFe2P2H12N2O10
TagsTetradeuterioammonium iron phosphate(V) dideuteriohydrate
Constituent elementsFe; H; N; O; P;
Number of elements5
Number of sites28
Volume248.16677 Å3
Density2.50078 g/cm3
Source Materials Project

Space group

Spacegroup Number31
Hermann MauguinPmn21
HallP 2ac -2
Crystal SystemOrthorhombic

Lattice Parameters

a5.732 Å b8.944 Å c4.841 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-164.43604 eV -5.87272 eV -1.60912 eV 3.31690 eV 8.00010 eV 0.00656 eV