Tl2O3
thallium(III) oxide · thallic oxide
Thallium(III) oxide is a stable, semiconducting inorganic compound used primarily in specialized electronic and research applications.
About thallium(III) oxide
Thallium(III) oxide is a thermodynamically stable binary oxide that crystallizes in a robust structural framework. As a semiconducting material, it exhibits distinct electronic properties that make it a subject of interest for researchers investigating metal-oxide semiconductors.
Its stability on the convex hull underscores its reliability as a material phase, supported by a significant body of structural data. This compound is primarily utilized in specialized research contexts where its unique electronic behavior can be leveraged for thin-film applications.
Key Properties
Cross-validated computational properties for thallium(III) oxide, 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.
Reported Structures
Lowest-energy structures reported for Tl2O3, 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. |
|---|---|---|---|---|---|
| Ia-3 (No. 206) | cubic | 0.00 | 0.0000 | -5.018 | 10.14 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.1161 | -4.902 | 10.42 |
| R-3m (No. 166) | trigonal | 0.19 | 0.1336 | -4.884 | 7.83 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.01 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.82 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.68 |
| Immm (No. 71) | Orthorhombic | — | — | — | 13.25 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.92 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.98 |
| P1 (No. 1) | Triclinic | — | — | — | 5.33 |
| Ia-3 (No. 206) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 10.18 |
Applications
Where thallium(III) oxide is used.
Frequently Asked Questions
Common questions about thallium(III) oxide, answered from cross-validated data.
What is Tl2O3?
Thallium(III) oxide is a stable, semiconducting inorganic compound used primarily in specialized electronic and research applications.
What is Tl2O3 used for?
What is the band gap of Tl2O3?
Is Tl2O3 a metal, semiconductor, or insulator?
Is Tl2O3 thermodynamically stable?
What is the crystal structure of Tl2O3?
What is the density of Tl2O3?
How many polymorphs of Tl2O3 are known?
What elements does Tl2O3 contain?
Where does the data for Tl2O3 come from?
How It Compares
As a stable binary oxide, Tl2O3 represents a fundamental building block in the study of thallium-based compounds, serving as a key reference point for understanding the electronic and structural evolution of oxides within this specific chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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