Structure

Basic information

Pretty formulaTiCdFe(PO4)3
Full formulaTi2Cd2Fe2P6O24
Tags
Constituent elementsCd; Fe; O; P; Ti;
Number of elements5
Number of sites36
Volume469.96000 Å3
Density3.54069 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.802 Å b8.802 Å c8.802 Å
α58.887° β58.887° γ58.887°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-259.42328 eV -7.20620 eV -2.67537 eV 2.25850 eV 10.00000 eV 0.00000 eV