Structure

Basic information

Pretty formulaTlGaS2
Full formulaTl8Ga8S16
TagsThallium gallium(III) sulfide (1/1/2);
Thallium gallium disulfide;
Thallium gallium sulfide
Constituent elementsGa; S; Tl;
Number of elements3
Number of sites32
Volume834.33785 Å3
Density5.38539 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a7.409 Å b7.409 Å c15.427 Å
α83.042° β83.042° γ89.995°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-129.65659 eV -4.05177 eV -0.97018 eV 1.79120 eV 0.00000 eV 0.00000 eV