Detail information of NaFeP3H7O13

Structure

Basic information

Pretty formulaNaFeP3H7O13
Full formulaNa8Fe8P24H56O104
TagsSodium iron(III) hydrogenphosphate(V) bis(dihydrogenphosphate(V)) hydrate
Constituent elementsFe; H; Na; O; P;
Number of elements5
Number of sites200
Volume2,165.49738 Å3
Density2.37286 g/cm3
Source Materials Project

Space group

Spacegroup Number60
Hermann MauguinPbcn
Hall-P 2n 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a8.919 Å b12.711 Å c19.103 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,225.18375 eV -6.12592 eV -2.08725 eV 2.68020 eV 40.00142 eV 0.00202 eV