NpTiO3 is a titanate ceramic compound containing neptunium, belonging to the perovskite oxide family of materials. This is a research-phase compound studied primarily for nuclear waste immobilization and actinide host materials, where its crystal structure and chemical stability are of interest for long-term geological storage of radioactive elements. While not yet commercialized, neptunium titanates represent an important materials class in the nuclear fuel cycle and environmental remediation sectors, offering potential advantages in chemical durability and leach resistance compared to alternative actinide containment ceramics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 200.3 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 81.10 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 9.249 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.000 | eV | DFT · PBE | ||
Magnetic Moment(μB)2 entries | 0.8630 | μB | DFT | ||
| ↳ | 4.511 | µB | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.2547 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -3.374 | eV/atom | DFT | ||
| ↳ | -2.946 | 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