K3BiO3
K3BiO3 is a stable, semiconducting ternary oxide of potassium and bismuth.
About K3BiO3
K3BiO3 is a ternary oxide compound composed of potassium, bismuth, and oxygen. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration within its chemical system.
This compound exhibits semiconducting electronic characteristics, making it a subject of interest for fundamental studies in solid-state physics. Its existence across multiple reported structures highlights its significance in exploring complex bismuth-based oxide frameworks.
Key Properties
Cross-validated computational properties for K3BiO3, 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 K3BiO3. 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 K3BiO3, 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. |
|---|---|---|---|---|---|
| — | — | 3.43 | 0.0000 | -1.578 | — |
| I-43m (No. 217) | cubic | 2.97 | 0.0000 | -1.564 | — |
| I-43m (No. 217) | cubic | 2.96 | 0.0000 | -4.836 | 4.06 |
| — | — | 3.40 | 0.0150 | -1.563 | — |
| — | — | 0.00 | 3.3192 | 1.741 | — |
| I-43m (No. 217) | cubic | — | — | — | 4.01 |
| I-43m (No. 217) | cubic | — | — | — | 3.85 |
| I-43m (No. 217) | cubic | — | — | — | 3.94 |
Applications
Where K3BiO3 is used.
Frequently Asked Questions
Common questions about K3BiO3, answered from cross-validated data.
What is K3BiO3?
K3BiO3 is a stable, semiconducting ternary oxide of potassium and bismuth.
What is K3BiO3 used for?
What is the band gap of K3BiO3?
Is K3BiO3 a metal, semiconductor, or insulator?
Is K3BiO3 thermodynamically stable?
What is the crystal structure of K3BiO3?
How many polymorphs of K3BiO3 are known?
What elements does K3BiO3 contain?
Where does the data for K3BiO3 come from?
How It Compares
As a thermodynamically stable semiconducting oxide, K3BiO3 serves as a foundational reference point for exploring the broader landscape of alkali metal bismuthates, providing a stable baseline for investigating electronic properties in this material family.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze K3BiO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →