Na2O
Sodium oxide · Disodium oxide
Sodium oxide is a stable, semiconducting inorganic compound widely used as a reactive intermediate in chemical manufacturing.
About Sodium oxide
Sodium oxide is a thermodynamically stable binary compound that serves as a fundamental building block in inorganic chemistry. As a semiconducting material, it exhibits distinct electronic properties that differentiate it from more conventional ionic insulators, making it a subject of significant interest in materials science research. Its structural diversity is evidenced by numerous reported configurations across major databases.
This compound is primarily utilized as a reactive intermediate in the production of various sodium-based chemicals and glasses. Its ability to participate in complex chemical syntheses ensures its importance in industrial manufacturing and laboratory-scale chemical processing, where it acts as a potent source of sodium ions.
Key Properties
Cross-validated computational properties for Sodium oxide, 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 Na2O. 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 Na2O, 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. |
|---|---|---|---|---|---|
| — | — | 2.22 | 0.0000 | -1.429 | — |
| R-3m (No. 166) | trigonal | 2.10 | 0.0000 | -1.430 | — |
| Fm-3m (No. 225) | cubic | 1.87 | 0.0000 | -3.970 | 2.49 |
| — | — | 2.20 | 0.0018 | -1.427 | — |
| Fm-3m (No. 225) | cubic | 2.21 | 0.0195 | -1.411 | — |
| Fm-3m (No. 225) | cubic | 2.21 | 0.0199 | -1.410 | — |
| — | — | 1.14 | 0.0342 | -1.394 | — |
| — | — | 1.30 | 0.0387 | -1.390 | — |
| — | — | 0.00 | 0.0510 | -1.378 | — |
| — | — | 0.00 | 0.0601 | -1.369 | — |
| Pnnm (No. 58) | orthorhombic | 1.03 | 0.0701 | -3.899 | 2.11 |
| P-62m (No. 189) | hexagonal | 1.88 | 0.0707 | -1.360 | — |
Applications
Where Sodium oxide is used.
Frequently Asked Questions
Common questions about Sodium oxide, answered from cross-validated data.
What is Na2O?
Sodium oxide is a stable, semiconducting inorganic compound widely used as a reactive intermediate in chemical manufacturing.
What is Na2O used for?
What is the band gap of Na2O?
Is Na2O a metal, semiconductor, or insulator?
Is Na2O thermodynamically stable?
What is the crystal structure of Na2O?
What is the density of Na2O?
How many polymorphs of Na2O are known?
What elements does Na2O contain?
Where does the data for Na2O come from?
How It Compares
As a standalone binary oxide, sodium oxide represents a critical reference point for understanding the behavior of alkali metal oxides. It occupies a unique position in the field of simple oxides, serving as a foundational material for studying the transition between ionic and semiconducting behavior in alkali-rich systems.
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)
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