Bi2O3
Bismuth oxide · Bismuth trioxide, Bismite
Bismuth oxide is a stable, semiconducting inorganic compound known for its extensive structural diversity and utility in high-performance technical applications.
About Bismuth oxide
Bismuth oxide is a thermodynamically stable compound that exists in a variety of structural configurations. Its semiconducting electronic character makes it a versatile candidate for functional material applications where electronic and optical properties are critical.
Due to its high structural diversity, this material has been extensively characterized across numerous databases. It serves as a foundational building block in the development of advanced ceramics and specialized glass formulations, benefiting from its unique chemical stability.
Key Properties
Cross-validated computational properties for Bismuth oxide, aggregated across 7 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 Bi2O3. 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 Bi2O3, 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. |
|---|---|---|---|---|---|
| — | — | 2.35 | 0.0000 | -1.474 | — |
| P21/c (No. 14) | monoclinic | 2.19 | 0.0000 | -6.167 | 9.44 |
| P21/c (No. 14) | monoclinic | 2.19 | 0.0000 | -1.364 | — |
| — | — | 2.24 | 0.0008 | -1.473 | — |
| — | — | 2.23 | 0.0036 | -1.470 | — |
| Pbcn (No. 60) | orthorhombic | 2.38 | 0.0134 | -6.153 | 8.94 |
| — | — | 2.54 | 0.0148 | -1.459 | — |
| P21/c (No. 14) | monoclinic | 2.86 | 0.0156 | -6.151 | 9.37 |
| Pccn (No. 56) | orthorhombic | 2.28 | 0.0165 | -6.150 | 8.70 |
| P-421c (No. 114) | tetragonal | 1.67 | 0.0195 | -6.147 | 9.03 |
| — | — | 1.90 | 0.0219 | -1.452 | — |
| — | — | 2.45 | 0.0249 | -1.449 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Bi2O3.
Applications
Where Bismuth oxide is used.
Patent Landscape
2 patents reference Bi2O3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 12286350 | Method for generating hydrogen using Bi2O3@SiO2 nanocomposite catalyst | — | — |
| 9464005 | Dielectric ceramic composition comprising Bi2O3, ZnO, Nb2O5 and V2O5, dielectric ceramic, electronic device, a | — | — |
Frequently Asked Questions
Common questions about Bismuth oxide, answered from cross-validated data.
What is Bi2O3?
Bismuth oxide is a stable, semiconducting inorganic compound known for its extensive structural diversity and utility in high-performance technical applications.
What is Bi2O3 used for?
What is the band gap of Bi2O3?
Is Bi2O3 a metal, semiconductor, or insulator?
Is Bi2O3 thermodynamically stable?
How many polymorphs of Bi2O3 are known?
How is Bi2O3 synthesized?
What elements does Bi2O3 contain?
Where does the data for Bi2O3 come from?
How It Compares
As a highly studied and structurally diverse material, bismuth oxide stands out for its unique ability to transition between various polymorphic states, which allows for fine-tuning of its functional properties compared to simpler, less flexible inorganic oxides.
Data sources & attribution
- 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)
- 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)
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