Zr4Se4O4 is an experimental mixed-valence semiconductor compound combining zirconium, selenium, and oxygen in a layered or framework structure. This material belongs to the family of transition metal chalcogenides and oxides, which are actively researched for their tunable electronic and optical properties. While not yet commercially established, compounds in this class show promise for photocatalytic applications, solid-state electronics, and energy conversion devices due to their ability to absorb and respond to light across useful spectral ranges.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 128.9 | GPa | DFT · OptB88vdW | ||
Shear Modulus(G) | 51.66 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 2.013 | eV | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Formation Energy(ΔHf) | -2.528 | 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