NiC2S2N2 is an experimental nickel-based compound containing carbon, sulfur, and nitrogen constituents, representing a research-phase material rather than an established commercial alloy. This material family is of interest in materials science for potential applications in catalysis, energy storage, and advanced composite systems where multi-element transition metal compounds offer tunable electronic and mechanical properties. The layered or two-dimensional character suggested by its exfoliation energy indicates potential for sheet-based engineering applications, though practical industrial adoption remains limited pending further development and performance validation.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,738.4 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 54.79 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 1,578 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.09509 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.2310 | eV | DFT · OptB88vdW | ||
| ↳ | 0.2810 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 30.06 | - | DFT · OptB88vdW | ||
| ↳ | 11.72 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.00333 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.00333 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 1.951 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000779 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000133 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -109.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 64.70 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 5.840 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.3426 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | 0.1834 | 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