Zr₄S₄O₄ is an experimental mixed-valence zirconium oxysulfide semiconductor compound that combines oxygen and sulfur coordination around zirconium centers. While not yet established in commercial production, this material belongs to the broader family of transition metal oxychalcogenides being researched for optoelectronic and solid-state applications, where the mixed-anion coordination can enable tunable electronic properties distinct from single-anion alternatives like pure oxides or sulfides.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 138.1 | GPa | DFT · OptB88vdW | ||
Shear Modulus(G) | 54.84 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 2.448 | eV | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Formation Energy(ΔHf) | -2.730 | 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