Mg3NF3 is a magnesium-based ceramic compound representing an emerging class of functional ceramics with potential applications in advanced structural and electrochemical systems. This material belongs to the family of magnesium fluoride and nitride composites, which are primarily investigated in research settings for their unique combination of ionic and covalent bonding characteristics. While not yet widely established in mainstream industrial applications, magnesium-based ceramics are being explored for next-generation energy storage, solid-state electrolytes, and high-temperature structural applications where traditional oxides show limitations.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 15,745.2 | ksi | DFT | ||
Shear Modulus(G) | 11,772.2 | ksi | DFT |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1137 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.927 | eV | DFT · OptB88vdW | ||
| ↳ | 6.338 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 8.633 | - | DFT · OptB88vdW | ||
| ↳ | 9.010 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 1.932 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.4800 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.450 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000843 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00151 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -122.6 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 388.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.791 | 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