Structure

Basic information

Pretty formulaBa1Cu2S2
Full formulaBaCu2S2
Tags
Constituent elementsBa; Cu; S;
Number of elements3
Number of sites5
Volume96.20380 Å3
Density0.00000 g/cm3
Source OQMD

Space group

Spacegroup Number139
Hermann MauguinI4/mmm
Hall-I 4 2
Crystal SystemTetragonal

Lattice Parameters

a3.907 Å b3.907 Å c6.882 Å
α106.490° β106.490° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
0.00000 eV 0.00000 eV 0.00000 eV 0.00000 eV 0.00000 eV 0.00000 eV