Na2UO4
sodium diuranate · sodium uranate
Sodium diuranate is a stable, semiconducting uranium-based compound often encountered in chemical processing and nuclear materials science.
About sodium diuranate
Sodium diuranate is a stable inorganic compound that exists as a semiconducting material. Its position on the thermodynamic convex hull highlights its structural robustness, making it a significant phase in uranium-based chemical systems. The compound is well-documented with numerous reported structures, reflecting its importance in solid-state research.
This material is primarily studied for its behavior in nuclear fuel cycles and its role as an intermediate in the processing of uranium ores. Its semiconducting electronic character and stable crystalline framework provide a foundation for understanding the interactions between alkali metals and actinide oxides in various thermal environments.
Key Properties
Cross-validated computational properties for sodium diuranate, 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 Na2UO4, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 1.87 | 0.0000 | -7.847 | 6.02 |
| Pbca (No. 61) | orthorhombic | 2.07 | 0.0165 | -7.830 | 5.78 |
| Pccn (No. 56) | orthorhombic | 2.00 | 0.0251 | -7.821 | 5.34 |
| Cmmm (No. 65) | orthorhombic | 2.04 | 0.0357 | -7.811 | 4.88 |
| I4/mmm (No. 139) | tetragonal | 2.02 | 0.0608 | -7.786 | 5.14 |
| Pccn (No. 56) | Orthorhombic | — | — | — | 5.46 |
| Cmmm (No. 65) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pccn (No. 56) | Orthorhombic | — | — | — | 5.62 |
| Pccn (No. 56) | Orthorhombic | — | — | — | 5.34 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 5.81 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 5.65 |
Applications
Where sodium diuranate is used.
Frequently Asked Questions
Common questions about sodium diuranate, answered from cross-validated data.
What is Na2UO4?
Sodium diuranate is a stable, semiconducting uranium-based compound often encountered in chemical processing and nuclear materials science.
What is Na2UO4 used for?
What is the band gap of Na2UO4?
Is Na2UO4 a metal, semiconductor, or insulator?
Is Na2UO4 thermodynamically stable?
What is the crystal structure of Na2UO4?
What is the density of Na2UO4?
How many polymorphs of Na2UO4 are known?
What elements does Na2UO4 contain?
Where does the data for Na2UO4 come from?
How It Compares
As a distinct member of the uranate family, sodium diuranate serves as a primary reference point for understanding how alkali metal incorporation stabilizes uranium-oxygen frameworks. It represents a fundamental benchmark for structural stability within this class of compounds.
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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