BaScCuS3 is an intermetallic compound combining barium, scandium, copper, and sulfur—a quaternary metal sulfide in the thiospinel family. This is a research-stage material primarily investigated for its potential as a thermoelectric or electronic material rather than a structural engineering application. The compound belongs to a broader class of complex metal chalcogenides that researchers explore for solid-state energy conversion, semiconducting behavior, or catalytic properties, though industrial adoption remains limited and engineering use cases are still being defined in academic settings.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 65.98 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 40.45 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.418 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.8700 | eV | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.01360 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.775 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data