Tl3Co3O8
Tl3Co3O8 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.
About Tl3Co3O8
Tl3Co3O8 is a complex semiconducting oxide that functions within the class of oxygen-evolution catalysts. Its electronic structure and composition make it an intriguing subject for investigating charge transfer mechanisms in electrochemical environments.
As a metastable phase, this material represents a specialized configuration of cobalt and thallium oxides. It is primarily studied for its potential role in facilitating critical oxidation reactions, contributing to the broader understanding of catalytic activity in metal-oxide systems.
Key Properties
Cross-validated computational properties for Tl3Co3O8, 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 Tl3Co3O8, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 0.00 | 0.0736 | -5.975 | 8.62 |
| P1 (No. 1) | triclinic | 0.23 | 0.0782 | -5.971 | 8.66 |
| Pm (No. 6) | monoclinic | 0.00 | 0.1163 | -5.932 | 8.61 |
| Pm (No. 6) | Monoclinic | — | — | — | 8.61 |
| Pm (No. 6) | Monoclinic | — | — | — | 9.42 |
| Pm (No. 6) | Monoclinic | — | — | — | 9.16 |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Tl3Co3O8 is used.
Frequently Asked Questions
Common questions about Tl3Co3O8, answered from cross-validated data.
What is Tl3Co3O8?
Tl3Co3O8 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.
What is Tl3Co3O8 used for?
What is the band gap of Tl3Co3O8?
Is Tl3Co3O8 a metal, semiconductor, or insulator?
Is Tl3Co3O8 thermodynamically stable?
What is the crystal structure of Tl3Co3O8?
What is the density of Tl3Co3O8?
How many polymorphs of Tl3Co3O8 are known?
What elements does Tl3Co3O8 contain?
Where does the data for Tl3Co3O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the group of oxygen-evolution catalysts, Tl3Co3O8 occupies a distinct niche compared to more conventional materials like NiO or LiCoO2. While many of its class members are characterized by high thermodynamic stability, Tl3Co3O8 is notable for its metastable nature, which often provides unique pathways for catalytic surface interactions that are not accessible in more stable, highly ordered perovskite or spinel structures like LaMnO3 or LiMn2O4.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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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