AgTeO3
AgTeO3 is a thermodynamically stable semiconducting silver tellurite compound known for its structural diversity.
About AgTeO3
AgTeO3 is a thermodynamically stable silver tellurite compound that occupies a secure position on the convex hull. As a semiconducting material, it represents a specialized inorganic phase characterized by its distinct structural arrangement and electronic properties.
With multiple reported structures across research databases, this compound is a subject of interest for those studying the intersection of silver and tellurium chemistry. Its stability makes it a reliable candidate for investigations into functional materials where electronic behavior and structural integrity are paramount.
Key Properties
Cross-validated computational properties for AgTeO3, 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 AgTeO3. 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 AgTeO3, 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. |
|---|---|---|---|---|---|
| — | — | 1.51 | 0.0000 | -0.975 | — |
| P21/c (No. 14) | monoclinic | 1.42 | 0.0000 | -5.312 | 6.28 |
| P21/m (No. 11) | monoclinic | 1.15 | 0.0000 | -0.800 | — |
| P21/c (No. 14) | monoclinic | 1.25 | 0.0031 | -0.797 | — |
| — | — | 1.32 | 0.0145 | -0.961 | — |
| — | — | 1.61 | 0.0152 | -0.960 | — |
| P21/m (No. 11) | monoclinic | 1.16 | 0.0201 | -5.292 | 6.87 |
| P21/c (No. 14) | monoclinic | 1.67 | 0.0205 | -5.292 | 6.55 |
| — | — | 0.00 | 0.1165 | -0.859 | — |
| — | — | 0.00 | 0.1400 | -0.835 | — |
| — | — | 0.00 | 0.1412 | -0.834 | — |
| — | — | 0.00 | 0.1474 | -0.828 | — |
Applications
Where AgTeO3 is used.
Frequently Asked Questions
Common questions about AgTeO3, answered from cross-validated data.
What is AgTeO3?
AgTeO3 is a thermodynamically stable semiconducting silver tellurite compound known for its structural diversity.
What is AgTeO3 used for?
What is the band gap of AgTeO3?
Is AgTeO3 a metal, semiconductor, or insulator?
Is AgTeO3 thermodynamically stable?
What is the crystal structure of AgTeO3?
What is the density of AgTeO3?
How many polymorphs of AgTeO3 are known?
What elements does AgTeO3 contain?
Where does the data for AgTeO3 come from?
How It Compares
As a unique inorganic phase, AgTeO3 serves as a foundational example of silver-based tellurite chemistry. It stands as a robust, stable representative of its class, providing a benchmark for understanding how silver and tellurium coordinate within a semiconducting framework.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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