Structure

Basic information

Pretty formulaNaLi3Ti2Fe2(PO4)6
Full formulaNa3Li9Ti6Fe6P18O72
Tags
Constituent elementsFe; Li; Na; O; P; Ti;
Number of elements6
Number of sites114
Volume1,406.54544 Å3
Density2.90800 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a8.956 Å b8.958 Å c26.873 Å
α56.628° β56.666° γ56.665°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-820.93204 eV -7.20116 eV -2.77167 eV 2.22710 eV 30.00000 eV 0.02212 eV