Structure

Basic information

Pretty formulaNa2TiCr(PO4)3
Full formulaNa4Ti2Cr2P6O24
Tags
Constituent elementsCr; Na; O; P; Ti;
Number of elements5
Number of sites38
Volume479.70940 Å3
Density2.98217 g/cm3
Source Materials Project

Space group

Spacegroup Number5
Hermann MauguinC2
HallC 2y
Crystal SystemMonoclinic

Lattice Parameters

a8.872 Å b8.880 Å c8.880 Å
α58.739° β58.644° γ58.644°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-277.34541 eV -7.29856 eV -2.81626 eV 2.52050 eV 6.00000 eV 0.00000 eV