Detail information of NaFe3P2(H4O7)2

Structure

Basic information

Pretty formulaNaFe3P2(H4O7)2
Full formulaNa4Fe12P8H32O56
TagsSodium triiron(III) bis(phosphate(V)) tetrahydroxide dihydrate;
Cyrilovite
Constituent elementsFe; H; Na; O; P;
Number of elements5
Number of sites112
Volume1,081.25986 Å3
Density2.97644 g/cm3
Source Materials Project

Space group

Spacegroup Number92
Hermann MauguinP41212
HallP 4abw 2nw
Crystal SystemTetragonal

Lattice Parameters

a7.419 Å b7.419 Å c19.643 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-675.02840 eV -6.02704 eV -1.93809 eV 2.25880 eV 60.00033 eV 0.01010 eV