Structure

Basic information

Pretty formulaZrFeP3PbO12
Full formulaZr2Fe2P6Pb2O24
Tags
Constituent elementsFe; O; P; Pb; Zr;
Number of elements5
Number of sites36
Volume524.86190 Å3
Density4.04445 g/cm3
Source Materials Project

Space group

Spacegroup Number161
Hermann MauguinR3c
HallR 3 -2"c
Crystal SystemHexagonal

Lattice Parameters

a9.351 Å b9.351 Å c9.351 Å
α56.015° β56.015° γ56.015°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-269.91634 eV -7.49768 eV -2.77593 eV 2.37860 eV 10.00000 eV 0.00000 eV