K3BiO3
Potassium bismuth oxide is an inorganic compound consisting of potassium, bismuth, and oxygen. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of complex oxide materials.
BiKO
Overview
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.
2.96 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
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. |
|---|---|---|---|---|---|
| I-43m (No. 217) | cubic | 2.96 | 0.0000 | -4.836 | 4.06 |
| I-43m (No. 217) | Cubic | — | — | — | 3.85 |
| I-43m (No. 217) | Cubic | — | — | — | 4.01 |
| I-43m (No. 217) | Cubic | — | — | — | 3.94 |
| I-43m (No. 217) | — | — | — | — | — |
Uses
Applications
Where K3BiO3 is used.
Materials science researchChemical synthesis precursor
Reference
Frequently Asked Questions
Common questions about K3BiO3, answered from cross-validated data.
What is K3BiO3?
Potassium bismuth oxide is an inorganic compound consisting of potassium, bismuth, and oxygen. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of complex oxide materials.
More questions
What is K3BiO3 used for?
K3BiO3 is used in materials science research and chemical synthesis precursor.
What is the band gap of K3BiO3?
K3BiO3 has a DFT-computed band gap of 2.96 eV across 5 reported structures.
Is K3BiO3 a metal, semiconductor, or insulator?
With a band gap up to 2.96 eV it is a semiconductor.
Is K3BiO3 thermodynamically stable?
Yes — K3BiO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K3BiO3?
The lowest-energy reported polymorph of K3BiO3 is cubic symmetry, space group I-43m (No. 217).
What is the density of K3BiO3?
The computed density of the ground-state structure of K3BiO3 is 4.06 g/cm³.
How many polymorphs of K3BiO3 are known?
5 structures of K3BiO3 are reported across 3 databases, spanning 1 distinct space group.
What elements does K3BiO3 contain?
K3BiO3 contains Bi, K, and O (3 elements).
Where does the data for K3BiO3 come from?
K3BiO3 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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