Structure

Basic information

Pretty formulaLi3Ti3Fe(PO4)6
Full formulaLi6Ti6Fe2P12O48
Tags
Constituent elementsFe; Li; O; P; Ti;
Number of elements5
Number of sites74
Volume930.01004 Å3
Density2.82145 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a8.696 Å b8.691 Å c17.450 Å
α59.806° β59.889° γ59.948°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-552.87229 eV -7.47125 eV -2.89887 eV 2.40590 eV 10.00004 eV 0.01573 eV