Structure

Basic information

Pretty formulaLi3Cr13Ni3(SO4)24
Full formulaLi3Cr13Ni3S24O96
Tags
Constituent elementsCr; Li; Ni; O; S;
Number of elements5
Number of sites139
Volume1,776.55964 Å3
Density2.97079 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a8.839 Å b8.846 Å c35.463 Å
α56.020° β55.847° γ55.969°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-896.99813 eV -6.45322 eV -1.98446 eV 2.26590 eV 45.00103 eV 0.00953 eV