Na2Te2O7
Na2Te2O7 is a thermodynamically stable, semiconducting sodium tellurite compound characterized by its structural versatility.
About Na2Te2O7
Na2Te2O7 is a complex tellurite compound that maintains thermodynamic stability on the convex hull. As a semiconducting material, it offers unique electronic properties that distinguish it within the broader landscape of sodium-based oxides. Its structural diversity is evidenced by multiple reported configurations across various databases, highlighting its significance in solid-state chemistry. The material is primarily studied for its fundamental electronic behavior and potential utility in specialized functional applications where stable, semiconducting oxide frameworks are required. Its ability to remain stable under standard conditions makes it an interesting candidate for further experimental investigation into its optoelectronic potential.
Key Properties
Cross-validated computational properties for Na2Te2O7, 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 Na2Te2O7. 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 Na2Te2O7, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.84 | 0.0000 | -1.349 | — |
| Imma (No. 74) | orthorhombic | 0.72 | 0.0000 | -5.646 | 5.05 |
| — | — | 1.06 | 0.0025 | -1.527 | — |
| Imma (No. 74) | orthorhombic | — | — | — | 4.79 |
| Imma (No. 74) | orthorhombic | — | — | — | 4.99 |
| Imma (No. 74) | orthorhombic | — | — | — | 5.22 |
Applications
Where Na2Te2O7 is used.
Frequently Asked Questions
Common questions about Na2Te2O7, answered from cross-validated data.
What is Na2Te2O7?
Na2Te2O7 is a thermodynamically stable, semiconducting sodium tellurite compound characterized by its structural versatility.
What is Na2Te2O7 used for?
What is the band gap of Na2Te2O7?
Is Na2Te2O7 a metal, semiconductor, or insulator?
Is Na2Te2O7 thermodynamically stable?
What is the crystal structure of Na2Te2O7?
How many polymorphs of Na2Te2O7 are known?
What elements does Na2Te2O7 contain?
Where does the data for Na2Te2O7 come from?
How It Compares
As a distinct member of the sodium tellurite family, Na2Te2O7 represents a stable structural arrangement that balances its constituent elements effectively. Unlike less stable phases that may require specific synthesis conditions, this compound occupies a favorable position on the convex hull, indicating robust chemical stability that facilitates its role as a reliable subject for structural and electronic characterization.
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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