K3SbO4
K3SbO4 is a thermodynamically stable semiconducting compound composed of potassium, antimony, and oxygen.
About K3SbO4
K3SbO4 is a complex inorganic compound composed of potassium, antimony, and oxygen. As a thermodynamically stable material residing on the convex hull, it exhibits a robust structural integrity that makes it a subject of interest for fundamental solid-state studies.
Characterized as a semiconductor, this material possesses electronic properties that bridge the gap between conductors and insulators. With multiple reported structures across major databases, it serves as a significant data point for researchers investigating the interplay between alkali metal coordination and pnictogen-oxide frameworks.
Key Properties
Cross-validated computational properties for K3SbO4, 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 K3SbO4. 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 K3SbO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.90 | 0.0000 | -1.777 | — |
| P2/c (No. 13) | monoclinic | 2.07 | 0.0000 | -1.729 | — |
| P2/c (No. 13) | monoclinic | 1.84 | 0.0000 | -5.292 | 3.88 |
| — | — | 2.91 | 0.0081 | -1.769 | — |
| — | — | 2.33 | 0.0293 | -1.748 | — |
| P2/c (No. 13) | monoclinic | — | — | — | 5.15 |
| P2/c (No. 13) | monoclinic | — | — | — | 3.70 |
| P2/c (No. 13) | monoclinic | — | — | — | 3.83 |
| P2/c (No. 13) | monoclinic | — | — | — | 3.92 |
Applications
Where K3SbO4 is used.
Frequently Asked Questions
Common questions about K3SbO4, answered from cross-validated data.
What is K3SbO4?
K3SbO4 is a thermodynamically stable semiconducting compound composed of potassium, antimony, and oxygen.
What is K3SbO4 used for?
What is the band gap of K3SbO4?
Is K3SbO4 a metal, semiconductor, or insulator?
Is K3SbO4 thermodynamically stable?
What is the crystal structure of K3SbO4?
How many polymorphs of K3SbO4 are known?
What elements does K3SbO4 contain?
Where does the data for K3SbO4 come from?
How It Compares
As a distinct inorganic phase, K3SbO4 represents a specific stoichiometry within the broader landscape of potassium antimonates. While it functions as an isolated entry in this classification, its thermodynamic stability distinguishes it as a reliable reference point for predicting the behavior of related complex oxide systems.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze K3SbO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →