Structure

Basic information

Pretty formulaKCrS2
Full formulaK1Cr1S2
TagsPotassium chromium sulfide;
Potassium dithiochromate(III)
Constituent elementsCr; K; S;
Number of elements3
Number of sites4
Volume82.73039 Å3
Density3.11562 g/cm3
Source Materials Project

Space group

Spacegroup Number166
Hermann MauguinR-3m
Hall-R 3 2"
Crystal SystemHexagonal

Lattice Parameters

a7.388 Å b7.388 Å c7.388 Å
α28.797° β28.797° γ28.797°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-22.72135 eV -5.68034 eV -1.26377 eV 1.16120 eV 3.00000 eV 0.00000 eV