Bi2O3
Bismuth trioxide · Bismuth(III) oxide, Bismite
Bismuth trioxide is a yellow inorganic compound that serves as the primary industrial source of bismuth. It is widely utilized for its unique optical and electrical properties in various technological and chemical manufacturing processes.
BiO
Overview
Key Properties
Cross-validated computational properties for Bismuth trioxide, aggregated across 6 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.
0.10–2.58 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
153
6 databases, 30 space groups
Validation
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.
1.00 / 1.00
Trust tier: high
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
4
aflow, jarvis, materials_project, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.19 | 0.0000 | -6.167 | 9.44 |
| Pbcn (No. 60) | orthorhombic | 1.75 | 0.0134 | -6.153 | 8.94 |
| P21/c (No. 14) | monoclinic | 2.45 | 0.0156 | -6.151 | 9.37 |
| Pccn (No. 56) | orthorhombic | 2.28 | 0.0165 | -6.150 | 8.70 |
| P-421c (No. 114) | tetragonal | 1.66 | 0.0195 | -6.147 | 9.03 |
| R3 (No. 146) | trigonal | 1.82 | 0.0335 | -6.133 | 8.91 |
| R-3c (No. 167) | trigonal | 2.08 | 0.0339 | -6.133 | 9.64 |
| P1 (No. 1) | triclinic | 1.68 | 0.0374 | -6.129 | 8.75 |
| Pa-3 (No. 205) | cubic | 2.54 | 0.0380 | -6.129 | 8.66 |
| P31c (No. 159) | trigonal | 1.49 | 0.0386 | -6.128 | 9.81 |
| P63mc (No. 186) | hexagonal | 1.47 | 0.0508 | -6.116 | 10.25 |
| Fd-3m (No. 227) | cubic | 2.58 | 0.0623 | -6.104 | 8.72 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Bi2O3.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Bismuth trioxide is used.
Glass manufacturingCeramic glazesFire retardantsCatalysts in chemical synthesisVaristorsOptical coatings
Reference
Frequently Asked Questions
Common questions about Bismuth trioxide, answered from cross-validated data.
What is Bi2O3?
Bismuth trioxide is a yellow inorganic compound that serves as the primary industrial source of bismuth. It is widely utilized for its unique optical and electrical properties in various technological and chemical manufacturing processes.
More questions
What is Bi2O3 used for?
Bismuth trioxide (Bi2O3) is used in glass manufacturing, ceramic glazes, fire retardants, catalysts in chemical synthesis, and varistors.
What is the band gap of Bi2O3?
Bismuth trioxide (Bi2O3) has a DFT-computed band gap of 0.10–2.58 eV across 153 reported structures.
Is Bi2O3 a metal, semiconductor, or insulator?
With a band gap up to 2.58 eV it is a semiconductor.
Is Bi2O3 thermodynamically stable?
Yes — Bismuth trioxide (Bi2O3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Bi2O3?
The lowest-energy reported polymorph of Bismuth trioxide (Bi2O3) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Bi2O3?
The computed density of the ground-state structure of Bismuth trioxide (Bi2O3) is 9.44 g/cm³.
How many polymorphs of Bi2O3 are known?
153 structures of Bi2O3 are reported across 6 databases, spanning 30 distinct space groups.
How is Bi2O3 synthesized?
Literature-reported routes for Bi2O3 include sol-gel (8 procedures documented).
What elements does Bi2O3 contain?
Bismuth trioxide (Bi2O3) contains Bi and O (2 elements).
Where does the data for Bi2O3 come from?
Bi2O3 data is cross-referenced from materials_project.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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