Na4UO5
Na4UO5 is a stable, semiconducting uranium-based oxide that exhibits diverse structural forms.
About Na4UO5
Na4UO5 is a complex oxide featuring a stable structural arrangement of sodium, uranium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a well-defined state in the chemical system, characterized by its semiconducting electronic properties.
This material is of significant interest in solid-state chemistry due to its structural complexity, with multiple reported configurations across various databases. Its stability and electronic nature make it a compelling subject for researchers investigating the behavior of actinide-based oxides in diverse chemical environments.
Key Properties
Cross-validated computational properties for Na4UO5, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Na4UO5. 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 Na4UO5, 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. |
|---|---|---|---|---|---|
| — | — | 3.33 | 0.0000 | -2.481 | — |
| I4/m (No. 87) | tetragonal | 2.24 | 0.0000 | -2.551 | — |
| I4/m (No. 87) | tetragonal | 2.16 | 0.0000 | -6.820 | 5.29 |
| I4/m (No. 87) | tetragonal | — | — | — | 4.94 |
| I4/m (No. 87) | tetragonal | — | — | — | 5.07 |
| I4/m (No. 87) | tetragonal | — | — | — | 5.19 |
Applications
Where Na4UO5 is used.
Frequently Asked Questions
Common questions about Na4UO5, answered from cross-validated data.
What is Na4UO5?
Na4UO5 is a stable, semiconducting uranium-based oxide that exhibits diverse structural forms.
What is Na4UO5 used for?
What is the band gap of Na4UO5?
Is Na4UO5 a metal, semiconductor, or insulator?
Is Na4UO5 thermodynamically stable?
What is the crystal structure of Na4UO5?
How many polymorphs of Na4UO5 are known?
What elements does Na4UO5 contain?
Where does the data for Na4UO5 come from?
How It Compares
As a unique oxide within its specific chemical system, Na4UO5 serves as a foundational reference point for understanding the interplay between alkali metals and uranium in complex lattice structures.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Na4UO5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →