BaNpO3 is an experimental perovskite-structure semiconductor compound containing barium, neptunium, and oxygen. This actinide-bearing ceramic exists primarily in research contexts for nuclear materials science and advanced ceramics development, rather than established commercial production. The material is of academic interest for understanding how actinide elements influence electronic properties and crystal structures in oxide perovskites, with potential relevance to nuclear fuel chemistry and radiation-resistant ceramic platforms, though practical engineering applications remain exploratory and would require careful handling due to the radioactive neptunium constituent.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 17,810.6 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 8,406.4 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2932 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.570 | eV | DFT · PBE | ||
| ↳ | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.000 | eV | DFT · TBmBJ | ||
Magnetic Moment(μB)2 entries | 0.6000 | μB | DFT | ||
| ↳ | 3.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000617 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000634 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -28.89 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | -29.39 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -3.389 | eV/atom | DFT | ||
| ↳ | -3.280 | 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