Nb2Tl5S4Cl9 is an experimental mixed-metal chalcohalide compound combining niobium, thallium, sulfur, and chlorine—a research-phase material not yet in commercial production. This compound belongs to the family of multinary semiconductors and ionic-covalent solids, synthesized primarily in laboratory settings to explore novel electronic, photonic, or structural properties that might emerge from the specific metal-sulfur-chlorine coordination chemistry. While industrial applications remain undetermined, materials of this composition family are investigated for potential use in solid-state electronics, photocatalysis, or specialized optical devices where unconventional metal-halide-chalcogenide combinations could offer property combinations unavailable from established materials.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 3,541.8 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 1,570.8 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1884 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.479 | eV | DFT · OptB88vdW | ||
| ↳ | 1.931 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.008 | - | DFT · OptB88vdW | ||
| ↳ | 5.211 | - | DFT · TBmBJ | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 24.51 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.082 | 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