Structure

Basic information

Pretty formulaTiMnCr(PO4)3
Full formulaTi2Mn2Cr2P6O24
Tags
Constituent elementsCr; Mn; O; P; Ti;
Number of elements5
Number of sites36
Volume454.67769 Å3
Density3.21179 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.644 Å b8.644 Å c8.644 Å
α59.806° β59.806° γ59.806°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-280.79785 eV -7.79994 eV -2.79902 eV 2.30070 eV 16.00000 eV 0.00000 eV