Na3UO4
Sodium uranate is a chemical compound containing sodium, uranium, and oxygen. It is primarily studied in the context of nuclear fuel chemistry and the processing of uranium-bearing materials.
NaOU
Overview
Key Properties
Cross-validated computational properties for Na3UO4, 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.
0.12 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Na3UO4, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.12 | 0.0000 | -7.120 | 5.71 |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.72 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.48 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.72 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.61 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.71 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.72 |
Uses
Applications
Where Na3UO4 is used.
Nuclear fuel researchUranium processingSolid-state chemistry research
Reference
Frequently Asked Questions
Common questions about Na3UO4, answered from cross-validated data.
What is Na3UO4?
Sodium uranate is a chemical compound containing sodium, uranium, and oxygen. It is primarily studied in the context of nuclear fuel chemistry and the processing of uranium-bearing materials.
More questions
What is Na3UO4 used for?
Na3UO4 is used in nuclear fuel research, uranium processing, and solid-state chemistry research.
What is the band gap of Na3UO4?
Na3UO4 has a DFT-computed band gap of 0.12 eV across 8 reported structures.
Is Na3UO4 a metal, semiconductor, or insulator?
With a band gap up to 0.12 eV it is a semiconductor.
Is Na3UO4 thermodynamically stable?
Yes — Na3UO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na3UO4?
The lowest-energy reported polymorph of Na3UO4 is orthorhombic symmetry, space group Cmmm (No. 65).
What is the density of Na3UO4?
The computed density of the ground-state structure of Na3UO4 is 5.71 g/cm³.
How many polymorphs of Na3UO4 are known?
8 structures of Na3UO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Na3UO4 contain?
Na3UO4 contains Na, O, and U (3 elements).
Where does the data for Na3UO4 come from?
Na3UO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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