Structure

Basic information

Pretty formulaLi6Ti8Ni(PO5)8
Full formulaLi6Ti8Ni1P8O40
Tags
Constituent elementsLi; Ni; O; P; Ti;
Number of elements5
Number of sites63
Volume703.77566 Å3
Density3.23493 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a6.453 Å b14.646 Å c10.435 Å
α45.528° β90.325° γ90.358°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-480.57361 eV -7.62815 eV -3.01193 eV 2.97960 eV 2.00000 eV 0.00293 eV