Structure

Basic information

Pretty formulaBaPdS2
Full formulaBa2Pd2S4
TagsBarium palladium disulfide;
Barium palladium sulfide
Constituent elementsBa; Pd; S;
Number of elements3
Number of sites8
Volume212.18260 Å3
Density4.81889 g/cm3
Source Materials Project

Space group

Spacegroup Number63
Hermann MauguinCmcm
Hall-C 2c 2
Crystal SystemOrthorhombic

Lattice Parameters

a5.737 Å b6.389 Å c6.389 Å
α115.029° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-40.48714 eV -5.06089 eV -1.55380 eV 0.38440 eV -0.00002 eV 0.00000 eV