Na4NpO5
Na4NpO5 is a thermodynamically stable semiconducting oxide of sodium and neptunium.
About Na4NpO5
Na4NpO5 is a complex oxide containing sodium and neptunium. As a thermodynamically stable member of the actinide-based oxide family, it sits on the convex hull, indicating a favorable energetic state under standard conditions.
The material exhibits semiconducting electronic character, which is a defining feature for its potential utility in specialized electronic or nuclear materials research. With multiple reported structures, it remains a subject of interest for understanding the coordination chemistry of neptunium.
Key Properties
Cross-validated computational properties for Na4NpO5, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Na4NpO5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Na4NpO5, 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. |
|---|---|---|---|---|---|
| I4/m (No. 87) | tetragonal | 0.77 | 0.0000 | -2.469 | — |
| I4/m (No. 87) | tetragonal | 0.65 | 0.0000 | -6.868 | 5.33 |
| — | — | 0.00 | 0.0000 | -2.348 | — |
| I4/m (No. 87) | tetragonal | — | — | — | 5.18 |
| I4/m (No. 87) | tetragonal | — | — | — | 5.01 |
| I4/m (No. 87) | tetragonal | — | — | — | 5.27 |
| I4/m (No. 87) | tetragonal | — | — | — | 5.16 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na4NpO5.
Applications
Where Na4NpO5 is used.
Frequently Asked Questions
Common questions about Na4NpO5, answered from cross-validated data.
What is Na4NpO5?
Na4NpO5 is a thermodynamically stable semiconducting oxide of sodium and neptunium.
What is Na4NpO5 used for?
What is the band gap of Na4NpO5?
Is Na4NpO5 a metal, semiconductor, or insulator?
Is Na4NpO5 thermodynamically stable?
What is the crystal structure of Na4NpO5?
How many polymorphs of Na4NpO5 are known?
How is Na4NpO5 synthesized?
What elements does Na4NpO5 contain?
Where does the data for Na4NpO5 come from?
How It Compares
As a distinct neptunium-based oxide, Na4NpO5 represents a specific stoichiometry within the broader landscape of actinide compounds. While it lacks direct siblings in this specific dataset, its position on the convex hull marks it as a robust and well-defined phase compared to more metastable or exotic actinide oxides.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Na4NpO5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →