K2O2Tl2
K2O2Tl2 is a thermodynamically stable, semiconducting ternary oxide containing potassium, oxygen, and thallium.
About K2O2Tl2
K2O2Tl2 is a complex ternary oxide featuring potassium and thallium. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement that persists under standard conditions.
This material exhibits semiconducting electronic characteristics, making it an intriguing subject for studies involving charge transport and electronic band structure engineering. Its presence in multiple structural databases highlights its significance as a stable chemical entity.
Key Properties
Cross-validated computational properties for K2O2Tl2, 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 K2O2Tl2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.16 | 0.0000 | -4.008 | 6.13 |
| — | — | — | — | — | 5.80 |
| — | — | — | — | — | 5.90 |
| — | — | — | — | — | 5.90 |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about K2O2Tl2, answered from cross-validated data.
What is K2O2Tl2?
K2O2Tl2 is a thermodynamically stable, semiconducting ternary oxide containing potassium, oxygen, and thallium.
What is the band gap of K2O2Tl2?
Is K2O2Tl2 a metal, semiconductor, or insulator?
Is K2O2Tl2 thermodynamically stable?
What is the crystal structure of K2O2Tl2?
What is the density of K2O2Tl2?
How many polymorphs of K2O2Tl2 are known?
What elements does K2O2Tl2 contain?
Where does the data for K2O2Tl2 come from?
How It Compares
As a unique ternary oxide, K2O2Tl2 occupies a distinct position in materials research, serving as a stable reference point for understanding the interplay between alkali metals and heavy post-transition elements in complex oxide lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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