Structure

Basic information

Pretty formulaK4NbFe3(PO4)6
Full formulaK8Nb2Fe6P12O48
Tags
Constituent elementsFe; K; Nb; O; P;
Number of elements5
Number of sites76
Volume1,018.34099 Å3
Density3.21777 g/cm3
Source Materials Project

Space group

Spacegroup Number4
Hermann MauguinP21
HallP 2yb
Crystal SystemMonoclinic

Lattice Parameters

a10.060 Å b10.062 Å c10.060 Å
α90.000° β90.000° γ89.610°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-532.77612 eV -7.01021 eV -2.64904 eV 2.35290 eV 30.00000 eV 0.00000 eV