BiMnO3
BiMnO3 is a metastable semiconducting oxide used in research for its potential role in oxygen-evolution catalytic processes.
About BiMnO3
BiMnO3 is a semiconducting oxide that exists in a metastable state, making it a subject of significant interest for researchers exploring complex transition metal oxides. Its unique electronic configuration and structural flexibility allow it to function within the broader landscape of catalytic materials, particularly where oxygen-evolution processes are concerned.
This compound represents a specialized niche in oxide chemistry, where its metastable nature provides a distinct pathway for studying catalytic activity. It is primarily utilized in experimental material science research to understand how bismuth-based perovskite-like structures can influence electrochemical reactions.
Key Properties
Cross-validated computational properties for BiMnO3, 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 BiMnO3. 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 BiMnO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0257 | -7.388 | 8.31 |
| P21/c (No. 14) | monoclinic | 1.90 | 0.0262 | -7.387 | 8.11 |
| C2/c (No. 15) | monoclinic | 1.48 | 0.0282 | -7.385 | 8.01 |
| Cc (No. 9) | monoclinic | 0.10 | 0.0299 | -7.383 | 8.05 |
| Pmn21 (No. 31) | orthorhombic | 0.00 | 0.0348 | -7.379 | 8.09 |
| P21/c (No. 14) | monoclinic | 0.78 | 0.0979 | -7.315 | 7.47 |
| — | — | — | — | — | 5.96 |
| I23 (No. 197) | cubic | — | — | — | 0.48 |
Synthesis Routes
Literature-extracted synthesis procedures targeting BiMnO3.
Applications
Where BiMnO3 is used.
Frequently Asked Questions
Common questions about BiMnO3, answered from cross-validated data.
What is BiMnO3?
BiMnO3 is a metastable semiconducting oxide used in research for its potential role in oxygen-evolution catalytic processes.
What is BiMnO3 used for?
What is the band gap of BiMnO3?
Is BiMnO3 a metal, semiconductor, or insulator?
Is BiMnO3 thermodynamically stable?
What is the crystal structure of BiMnO3?
What is the density of BiMnO3?
How many polymorphs of BiMnO3 are known?
How is BiMnO3 synthesized?
What elements does BiMnO3 contain?
Where does the data for BiMnO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse group of oxygen-evolution catalysts, BiMnO3 occupies a distinct position compared to more conventional materials like NiO or LiCoO2. While many of its siblings, such as LaMnO3 or BiFeO3, are well-established perovskites, BiMnO3 is characterized by its metastability, which sets it apart from the more thermodynamically stable oxides commonly used in industrial applications.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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