CoTeO4
CoTeO4 is a stable, semiconducting oxide material utilized primarily for its catalytic activity in oxygen-evolution reactions.
About CoTeO4
CoTeO4 is a thermodynamically stable oxide that functions as a semiconducting material within the broader family of oxygen-evolution catalysts. Its favorable position on the convex hull indicates high structural integrity, making it a robust candidate for research into efficient electrochemical energy conversion processes. The material has been extensively characterized, with numerous documented structures highlighting its versatility in solid-state chemistry. By leveraging its electronic properties, researchers utilize this compound to facilitate the oxygen-evolution reaction, which is a critical bottleneck in various sustainable energy technologies.
Key Properties
Cross-validated computational properties for CoTeO4, aggregated across 2 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 CoTeO4. 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 CoTeO4, 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/c (No. 14) | monoclinic | 0.00 | 0.0000 | -6.461 | 6.27 |
| P2/m (No. 10) | monoclinic | 0.72 | 0.0950 | -6.366 | 5.08 |
| Imma (No. 74) | orthorhombic | 0.90 | 0.1305 | -6.331 | 4.99 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.2366 | -0.856 | — |
| P2/m (No. 10) | monoclinic | 0.03 | 0.2391 | -0.853 | — |
| P2/m (No. 10) | monoclinic | 0.00 | 0.2498 | -0.843 | — |
| P1 (No. 1) | triclinic | — | — | — | 6.85 |
| Imma (No. 74) | orthorhombic | — | — | — | 5.59 |
| P2/m (No. 10) | monoclinic | — | — | — | 5.08 |
| P2/m (No. 10) | monoclinic | — | — | — | 5.38 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.97 |
| P1 (No. 1) | triclinic | — | — | — | 7.06 |
Applications
Where CoTeO4 is used.
Frequently Asked Questions
Common questions about CoTeO4, answered from cross-validated data.
What is CoTeO4?
CoTeO4 is a stable, semiconducting oxide material utilized primarily for its catalytic activity in oxygen-evolution reactions.
What is CoTeO4 used for?
What is the band gap of CoTeO4?
Is CoTeO4 a metal, semiconductor, or insulator?
Is CoTeO4 thermodynamically stable?
What is the crystal structure of CoTeO4?
What is the density of CoTeO4?
How many polymorphs of CoTeO4 are known?
What elements does CoTeO4 contain?
Where does the data for CoTeO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
As a member of the oxide oxygen-evolution catalyst class, CoTeO4 offers a distinct alternative to more traditional transition metal oxides like LiCoO2 or NiO. While materials such as LiCoO2 are primarily recognized for their role in battery cathodes, CoTeO4 is specifically optimized for catalytic performance, providing a unique electronic environment that differs significantly from the perovskite-structured LaMnO3 or BiFeO3.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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