Structure
Basic information
Pretty formula | BaTaS3 |
Full formula | Ba2Ta2S6 |
Tags | Barium tantalum sulfide (1/1/3); Barium tantalum(IV) sulfide |
Constituent elements | Ba; S; Ta; |
Number of elements | 3 |
Number of sites | 10 |
Volume | 240.10125 Å3 |
Density | 5.73294 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 194 |
Hermann Mauguin | P63/mmc |
Hall | -P 6c 2c |
Crystal System | Hexagonal |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-67.19900 eV | -6.71990 eV | -1.88520 eV | 0.00000 eV | 0.00000 eV | 0.00000 eV |