NaTe
NaTe is a semiconducting binary compound of sodium and tellurium that is considered a promising candidate for experimental synthesis.
About NaTe
NaTe is a binary compound composed of sodium and tellurium that exhibits semiconducting electronic characteristics. Its position near the thermodynamic hull suggests that it is a viable candidate for experimental synthesis and further characterization in the laboratory.
Given the significant number of reported structures across multiple databases, this material is a subject of active interest for researchers studying the phase space of alkali metal tellurides. Its electronic nature makes it a relevant candidate for investigations into specialized semiconductor applications.
Key Properties
Cross-validated computational properties for NaTe, 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 NaTe. 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 NaTe, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -0.753 | — |
| Pbcn (No. 60) | orthorhombic | 0.53 | 0.0047 | -15.353 | 4.14 |
| — | — | 0.43 | 0.0210 | -0.750 | — |
| — | — | 0.00 | 0.0266 | -0.745 | — |
| Pmmm (No. 47) | orthorhombic | 0.00 | 0.0333 | -0.720 | — |
| — | — | 0.00 | 0.1373 | -0.634 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1561 | -0.597 | — |
| — | — | 0.00 | 0.1848 | -0.586 | — |
| — | — | 0.00 | 0.1906 | -0.581 | — |
| — | — | 0.00 | 0.2096 | -0.562 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.2179 | -0.536 | — |
| — | — | 0.00 | 0.3641 | -0.407 | — |
Applications
Where NaTe is used.
Frequently Asked Questions
Common questions about NaTe, answered from cross-validated data.
What is NaTe?
NaTe is a semiconducting binary compound of sodium and tellurium that is considered a promising candidate for experimental synthesis.
What is NaTe used for?
What is the band gap of NaTe?
Is NaTe a metal, semiconductor, or insulator?
Is NaTe thermodynamically stable?
What is the crystal structure of NaTe?
What is the density of NaTe?
How many polymorphs of NaTe are known?
What elements does NaTe contain?
Where does the data for NaTe come from?
How It Compares
As a binary telluride, NaTe represents an important data point in the study of alkali metal-chalcogen systems, serving as a foundational material for understanding the structural diversity and electronic behavior inherent in these specific compositions.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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