Na2Se
sodium selenide · disodium selenide
Sodium selenide is a stable, semiconducting inorganic compound composed of sodium and selenium.
About sodium selenide
Sodium selenide is a crystalline inorganic compound that functions as a semiconductor. Its position on the convex hull indicates high thermodynamic stability, making it a reliable subject for structural analysis and material synthesis. The compound is characterized by a robust lattice arrangement that has been extensively documented across multiple crystallographic databases. Its electronic properties and chemical behavior make it a significant interest for researchers investigating alkali metal chalcogenides. By providing a stable framework for ionic interactions, this material serves as a foundational component in studies involving selenium-based chemistry and solid-state electronics.
Key Properties
Cross-validated computational properties for sodium selenide, aggregated across 6 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 Na2Se. 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 Na2Se, 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. |
|---|---|---|---|---|---|
| — | — | 2.25 | 0.0000 | -1.147 | — |
| Fm-3m (No. 225) | cubic | 2.17 | 0.0000 | -1.156 | — |
| Fm-3m (No. 225) | cubic | 2.02 | 0.0000 | -8.416 | 2.69 |
| — | — | 2.28 | 0.0082 | -1.139 | — |
| — | — | 1.69 | 0.0396 | -1.107 | — |
| — | — | 0.00 | 0.0402 | -1.107 | — |
| — | — | 0.00 | 0.0407 | -1.106 | — |
| — | — | 1.94 | 0.0441 | -1.103 | — |
| — | — | 1.93 | 0.0801 | -1.067 | — |
| — | — | 1.90 | 0.0881 | -1.059 | — |
| — | — | 1.32 | 0.0888 | -1.058 | — |
| — | — | 1.33 | 0.0975 | -1.049 | — |
Applications
Where sodium selenide is used.
Frequently Asked Questions
Common questions about sodium selenide, answered from cross-validated data.
What is Na2Se?
Sodium selenide is a stable, semiconducting inorganic compound composed of sodium and selenium.
What is Na2Se used for?
What is the band gap of Na2Se?
Is Na2Se a metal, semiconductor, or insulator?
Is Na2Se thermodynamically stable?
What is the crystal structure of Na2Se?
How many polymorphs of Na2Se are known?
What elements does Na2Se contain?
Where does the data for Na2Se come from?
How It Compares
As a primary alkali metal chalcogenide, sodium selenide serves as a benchmark for understanding the structural and electronic trends within its chemical family, providing a stable reference point for predicting the behavior of more complex selenide 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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