Na3NpO8
Na3NpO8 is a semiconducting ternary neptunium oxide that serves as a subject for studying the stability and electronic properties of actinide compounds.
About Na3NpO8
Na3NpO8 is a complex inorganic compound containing sodium, neptunium, and oxygen. As a semiconducting material, it represents a specific intersection of actinide chemistry and alkali metal coordination, offering insights into the electronic behavior of transuranic elements within oxide frameworks.
Despite its existence in multiple structural databases, the compound is characterized as being above the thermodynamic hull, suggesting it is a metastable phase. Its study is primarily driven by the need to understand the fundamental bonding and stability of neptunium in high-oxidation states for nuclear material science.
Key Properties
Cross-validated computational properties for Na3NpO8, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Na3NpO8, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.53 | 0.1699 | -6.414 | 4.33 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.33 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.53 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.41 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Na3NpO8 is used.
Frequently Asked Questions
Common questions about Na3NpO8, answered from cross-validated data.
What is Na3NpO8?
Na3NpO8 is a semiconducting ternary neptunium oxide that serves as a subject for studying the stability and electronic properties of actinide compounds.
What is Na3NpO8 used for?
What is the band gap of Na3NpO8?
Is Na3NpO8 a metal, semiconductor, or insulator?
Is Na3NpO8 thermodynamically stable?
What is the crystal structure of Na3NpO8?
What is the density of Na3NpO8?
How many polymorphs of Na3NpO8 are known?
What elements does Na3NpO8 contain?
Where does the data for Na3NpO8 come from?
How It Compares
As a unique neptunium-based oxide, Na3NpO8 serves as a specialized case study within actinide chemistry. Unlike more common binary oxides, this ternary phase highlights the challenges of stabilizing highly oxidized actinide centers, placing it in a distinct category of synthetic inorganic materials that require precise control over chemical potential to exist.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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