KSbO3
KSbO3 is a thermodynamically stable, semiconducting potassium antimony oxide used in materials science research.
About KSbO3
KSbO3 is a complex oxide composed of potassium, antimony, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration that has been extensively documented across multiple crystallographic databases.
This compound exhibits semiconducting electronic character, making it an intriguing candidate for specialized functional materials. Its structural versatility is highlighted by the significant number of reported crystal structures, which underscores its importance in solid-state chemistry research.
Key Properties
Cross-validated computational properties for KSbO3, 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 KSbO3. 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 KSbO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 2.80 | 0.0000 | -1.757 | — |
| R-3 (No. 148) | trigonal | 2.69 | 0.0000 | -6.070 | 4.51 |
| — | — | 3.07 | 0.0002 | -1.893 | — |
| — | — | 2.95 | 0.0038 | -1.889 | — |
| — | — | 3.12 | 0.0039 | -1.889 | — |
| — | — | 2.95 | 0.0052 | -1.888 | — |
| Pn-3 (No. 201) | cubic | 1.79 | 0.0184 | -6.052 | 4.70 |
| — | — | 2.17 | 0.0204 | -1.873 | — |
| Fd-3m (No. 227) | cubic | 1.31 | 0.0275 | -1.729 | — |
| Fd-3m (No. 227) | cubic | 1.12 | 0.0447 | -6.025 | 4.62 |
| — | — | 1.60 | 0.0456 | -1.847 | — |
| — | — | 0.28 | 0.1513 | -1.742 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting KSbO3.
Applications
Where KSbO3 is used.
Patent Landscape
1 patent reference KSbO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 3954956 | Ternary oxides with the cubic KSbO.sub.3 crystal structure | — | — |
Frequently Asked Questions
Common questions about KSbO3, answered from cross-validated data.
What is KSbO3?
KSbO3 is a thermodynamically stable, semiconducting potassium antimony oxide used in materials science research.
What is KSbO3 used for?
What is the band gap of KSbO3?
Is KSbO3 a metal, semiconductor, or insulator?
Is KSbO3 thermodynamically stable?
What is the crystal structure of KSbO3?
What is the density of KSbO3?
How many polymorphs of KSbO3 are known?
How is KSbO3 synthesized?
What elements does KSbO3 contain?
Where does the data for KSbO3 come from?
How It Compares
As a standalone entry in this context, KSbO3 serves as a foundational example of stable ternary antimonate oxides, providing a benchmark for structural stability and electronic behavior in complex oxide systems.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze KSbO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →