O3TeTl2
O3TeTl2 is a stable, semiconducting tellurite compound composed of thallium, tellurium, and oxygen.
About O3TeTl2
O3TeTl2 is a thermodynamically stable tellurite compound that resides on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers unique electronic characteristics that make it a subject of interest for specialized solid-state research.
Its composition of thallium, tellurium, and oxygen places it within a niche category of complex oxides. This compound is primarily utilized in fundamental materials science studies aimed at exploring the interplay between heavy metal cations and chalcogen-based anionic frameworks.
Key Properties
Cross-validated computational properties for O3TeTl2, 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 O3TeTl2. 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.
Applications
Where O3TeTl2 is used.
Frequently Asked Questions
Common questions about O3TeTl2, answered from cross-validated data.
What is O3TeTl2?
O3TeTl2 is a stable, semiconducting tellurite compound composed of thallium, tellurium, and oxygen.
What is O3TeTl2 used for?
What is the band gap of O3TeTl2?
Is O3TeTl2 a metal, semiconductor, or insulator?
Is O3TeTl2 thermodynamically stable?
How many polymorphs of O3TeTl2 are known?
What elements does O3TeTl2 contain?
Where does the data for O3TeTl2 come from?
How It Compares
As a thermodynamically stable phase, O3TeTl2 serves as a foundational example of thallium-based tellurites. While it represents a distinct chemical environment, it contributes to the broader understanding of how heavy-metal oxides maintain structural integrity within the solid state.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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