Na2Te
sodium telluride · disodium telluride
Sodium telluride is a stable semiconducting binary compound formed from sodium and tellurium.
About sodium telluride
Sodium telluride is a binary inorganic compound composed of sodium and tellurium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, characterized by its semiconducting electronic nature.
This compound is of significant interest in materials science due to its well-defined structural characteristics, with multiple reported configurations documented across research databases. Its stability and electronic properties make it a subject of study for researchers exploring chalcogenide-based semiconductors.
Key Properties
Cross-validated computational properties for sodium telluride, aggregated across 4 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 Na2Te. 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 Na2Te, 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. |
|---|---|---|---|---|---|
| — | — | 2.36 | 0.0000 | -1.011 | — |
| Fm-3m (No. 225) | cubic | 2.14 | 0.0000 | -1.002 | — |
| Fm-3m (No. 225) | cubic | 2.03 | 0.0000 | -11.976 | 3.01 |
| — | — | 2.25 | 0.0115 | -1.000 | — |
| — | — | 1.88 | 0.0291 | -0.982 | — |
| — | — | 1.88 | 0.0404 | -0.971 | — |
| — | — | 1.77 | 0.0609 | -0.950 | — |
| — | — | 1.75 | 0.0718 | -0.939 | — |
| — | — | 1.33 | 0.0996 | -0.912 | — |
| Amm2 (No. 38) | orthorhombic | 0.78 | 0.1636 | -0.839 | — |
| — | — | 2.56 | 0.3119 | -0.699 | — |
| P6/mmm (No. 191) | hexagonal | 1.00 | 0.3195 | -0.683 | — |
Applications
Where sodium telluride is used.
Frequently Asked Questions
Common questions about sodium telluride, answered from cross-validated data.
What is Na2Te?
Sodium telluride is a stable semiconducting binary compound formed from sodium and tellurium.
What is Na2Te used for?
What is the band gap of Na2Te?
Is Na2Te a metal, semiconductor, or insulator?
Is Na2Te thermodynamically stable?
What is the crystal structure of Na2Te?
How many polymorphs of Na2Te are known?
What elements does Na2Te contain?
Where does the data for Na2Te come from?
How It Compares
As a stable binary compound, sodium telluride serves as a foundational reference point for understanding the interactions between alkali metals and heavy chalcogens. It exemplifies the structural diversity possible within simple binary systems, providing a baseline for investigating the electronic behavior of related telluride-based materials.
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)
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