Na2TeO4
Na2TeO4 is a thermodynamically stable, semiconducting sodium tellurate compound used in materials research.
About Na2TeO4
Na2TeO4 is a sodium tellurate compound characterized by its status as a thermodynamically stable phase on the convex hull. Its electronic structure exhibits semiconducting behavior, making it an interesting candidate for investigation within inorganic tellurate chemistry.
Given its presence across multiple structural databases, this compound is a well-documented subject for researchers studying complex oxide systems. Its stability suggests potential utility in solid-state applications where reliable phase behavior is essential.
Key Properties
Cross-validated computational properties for Na2TeO4, 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 Na2TeO4. 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 Na2TeO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.10 | 0.0000 | -1.688 | — |
| Pbcn (No. 60) | orthorhombic | 1.92 | 0.0000 | -1.536 | — |
| Pbcn (No. 60) | orthorhombic | 1.82 | 0.0000 | -5.470 | 4.38 |
| — | — | 2.13 | 0.0008 | -1.687 | — |
| P21/c (No. 14) | monoclinic | 1.81 | 0.0008 | -5.469 | 4.32 |
| — | — | 2.30 | 0.0678 | -1.620 | — |
| — | — | 2.31 | 0.0718 | -1.616 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 4.27 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 4.26 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 4.13 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 4.45 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 4.27 |
Applications
Where Na2TeO4 is used.
Frequently Asked Questions
Common questions about Na2TeO4, answered from cross-validated data.
What is Na2TeO4?
Na2TeO4 is a thermodynamically stable, semiconducting sodium tellurate compound used in materials research.
What is Na2TeO4 used for?
What is the band gap of Na2TeO4?
Is Na2TeO4 a metal, semiconductor, or insulator?
Is Na2TeO4 thermodynamically stable?
What is the crystal structure of Na2TeO4?
What is the density of Na2TeO4?
How many polymorphs of Na2TeO4 are known?
What elements does Na2TeO4 contain?
Where does the data for Na2TeO4 come from?
How It Compares
As a distinct sodium tellurate, Na2TeO4 occupies a specific niche in inorganic chemistry. While it shares the general characteristics of alkali metal tellurates, its unique structural arrangement and stable nature distinguish it as a foundational reference point for future studies in this chemical family.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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