Zr2P3S is a ternary metal phosphide-sulfide compound combining zirconium with phosphorus and sulfur elements, representing an emerging class of mixed-anion materials being explored in solid-state chemistry and materials research. While not yet widely deployed in mainstream industrial applications, this material family is of interest for potential use in energy storage systems, catalysis, and high-temperature structural applications due to the thermodynamic stability and electronic properties afforded by its complex crystal structure. Engineers considering this material should note it remains largely in the research phase; viability would depend on synthesis scalability, cost analysis relative to established alternatives, and validation of specific performance requirements for niche high-performance applications.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 127.4 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 71.91 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.949 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.000 | eV | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.189 | 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