CoBiO3
CoBiO3 is a stable, semiconducting oxide material utilized primarily in the development of oxygen-evolution catalysts for electrochemical energy systems.
About CoBiO3
CoBiO3 is a semiconducting oxide that sits on the convex hull, indicating significant thermodynamic stability. As a member of the oxide oxygen-evolution catalyst family, it is a subject of interest for researchers looking to optimize electrochemical processes through its specific structural and electronic properties.
With numerous reported structures across major databases, this compound serves as a versatile candidate for catalytic applications. Its stability and semiconducting nature make it a compelling subject for studies aiming to improve the efficiency of water splitting and related energy conversion technologies.
Key Properties
Cross-validated computational properties for CoBiO3, 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 CoBiO3. 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 CoBiO3, 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. |
|---|---|---|---|---|---|
| P4mm (No. 99) | tetragonal | 0.00 | 0.0000 | -6.632 | 9.41 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0106 | -1.233 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 0.0653 | -1.178 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 0.0772 | -1.166 | — |
| Pnma (No. 62) | orthorhombic | 0.39 | 0.0822 | -6.550 | 9.31 |
| — | — | 0.39 | 0.1143 | -1.272 | — |
| — | — | 0.44 | 0.1256 | -1.261 | — |
| — | — | 0.52 | 0.1530 | -1.234 | — |
| — | — | 0.56 | 0.1900 | -1.197 | — |
| — | — | 0.00 | 0.2332 | -1.153 | — |
| — | — | 0.00 | 0.2363 | -1.150 | — |
| — | — | 0.40 | 0.2595 | -1.127 | — |
Applications
Where CoBiO3 is used.
Frequently Asked Questions
Common questions about CoBiO3, answered from cross-validated data.
What is CoBiO3?
CoBiO3 is a stable, semiconducting oxide material utilized primarily in the development of oxygen-evolution catalysts for electrochemical energy systems.
What is CoBiO3 used for?
What is the band gap of CoBiO3?
Is CoBiO3 a metal, semiconductor, or insulator?
Is CoBiO3 thermodynamically stable?
What is the crystal structure of CoBiO3?
What is the density of CoBiO3?
How many polymorphs of CoBiO3 are known?
What elements does CoBiO3 contain?
Where does the data for CoBiO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, CoBiO3 distinguishes itself from more conventional transition metal oxides like NiO or layered materials such as LiCoO2. While many of its siblings are optimized for battery electrode performance, CoBiO3 is primarily investigated for its catalytic potential, positioning it alongside complex perovskite-related structures like LaMnO3 and BiFeO3 in the pursuit of advanced functional materials.
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)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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