Detail information of K3Fe3P4H2O17

Structure

Basic information

Pretty formulaK3Fe3P4H2O17
Full formulaK12Fe12P16H8O68
TagsTripotassium triiron tetrakis(phosphate(V)) hydrate
Constituent elementsFe; H; K; O; P;
Number of elements5
Number of sites116
Volume1,522.98394 Å3
Density2.97758 g/cm3
Source Materials Project

Space group

Spacegroup Number52
Hermann MauguinPnna
Hall-P 2a 2bc
Crystal SystemOrthorhombic

Lattice Parameters

a10.914 Å b21.043 Å c6.631 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
-762.96319 eV -6.57727 eV -2.42051 eV 2.27610 eV 60.00065 eV 0.00000 eV