Zr₂P₄S₁₂ is an experimental layered semiconductor compound belonging to the metal phosphide-sulfide family, synthesized primarily for research applications rather than established industrial production. This material is investigated for its potential in thermoelectric devices, photocatalysis, and two-dimensional electronics due to its layered crystal structure and tunable electronic properties. The compound represents an emerging class of mixed-anion semiconductors that could offer advantages over conventional semiconductors in specific niche applications, though it remains largely in the research phase with limited commercial deployment.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 29.18 | GPa | DFT · OptB88vdW | ||
Shear Modulus(G) | 17.13 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.669 | eV | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Formation Energy(ΔHf) | -0.7150 | 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