Na2SeO4
Sodium selenate · Disodium selenate
Sodium selenate is a stable, insulating inorganic salt frequently used as a source of selenium in chemical and nutritional applications.
About Sodium selenate
Sodium selenate is a stable inorganic salt that functions as a wide-gap insulator. Its position on the convex hull indicates high thermodynamic stability, making it a reliable chemical species for various industrial and laboratory applications.
As a selenium-containing compound, it is valued for its solubility and reactivity in aqueous environments. It serves as a primary precursor for introducing selenium into biological and chemical systems, benefiting from its well-defined structural characteristics.
Key Properties
Cross-validated computational properties for Sodium selenate, 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 Na2SeO4. 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 Na2SeO4, 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. |
|---|---|---|---|---|---|
| — | — | 3.66 | 0.0000 | -1.627 | — |
| Fddd (No. 70) | orthorhombic | 3.52 | 0.0000 | -1.444 | — |
| Fddd (No. 70) | orthorhombic | 3.34 | 0.0000 | -5.460 | 3.28 |
| — | — | 3.55 | 0.0224 | -1.605 | — |
| — | — | 3.36 | 0.0305 | -1.596 | — |
| — | — | 3.26 | 0.0738 | -1.553 | — |
| — | — | 3.58 | 0.1062 | -1.521 | — |
| — | — | 0.00 | 0.4763 | -1.151 | — |
| — | — | 1.39 | 0.4850 | -1.142 | — |
| Fddd (No. 70) | orthorhombic | — | — | — | 3.22 |
| Fddd (No. 70) | orthorhombic | — | — | — | 3.14 |
| Fddd (No. 70) | orthorhombic | — | — | — | 3.06 |
Applications
Where Sodium selenate is used.
Frequently Asked Questions
Common questions about Sodium selenate, answered from cross-validated data.
What is Na2SeO4?
Sodium selenate is a stable, insulating inorganic salt frequently used as a source of selenium in chemical and nutritional applications.
What is Na2SeO4 used for?
What is the band gap of Na2SeO4?
Is Na2SeO4 a metal, semiconductor, or insulator?
Is Na2SeO4 thermodynamically stable?
What is the crystal structure of Na2SeO4?
How many polymorphs of Na2SeO4 are known?
What elements does Na2SeO4 contain?
Where does the data for Na2SeO4 come from?
How It Compares
As a standalone representative of its chemical family, sodium selenate serves as a fundamental reference point for selenate-based chemistry. Its stability and insulating nature define the baseline performance for similar alkali metal selenates, highlighting the importance of the sodium cation in stabilizing the selenate polyanion framework.
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)
- 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.
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