Nb3S1Br7 is an experimental mixed-halide niobium chalcohalide semiconductor compound combining niobium, sulfur, and bromine in a layered structure. This material belongs to the family of transition metal chalcohalides, which are primarily investigated in academic research for their tunable electronic properties and potential in next-generation optoelectronic and energy storage applications. As a research-stage compound rather than an established commercial material, Nb3S1Br7 represents the broader category of van der Waals heterostructures being explored for flexible electronics, photovoltaics, and two-dimensional device integration.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 5,355.1 | ksi | DFT · OptB88vdW | ||
Shear Modulus(G) | 3,294.2 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.7398 | eV | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Formation Energy(ΔHf) | -1.051 | 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