K4Sb2O3
K4Sb2O3 is a semiconducting potassium antimonide oxide that exists in a metastable state.
About K4Sb2O3
K4Sb2O3 is an inorganic compound composed of potassium, antimony, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic or insulating oxides, positioning it as a subject of interest for fundamental solid-state research.
Despite being identified across multiple structural databases, the compound is characterized as being above the thermodynamic hull. This suggests that it exists in a metastable state, requiring specific synthesis conditions to stabilize its complex atomic arrangement.
Key Properties
Cross-validated computational properties for K4Sb2O3, 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 K4Sb2O3. 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 K4Sb2O3, 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. |
|---|---|---|---|---|---|
| — | — | 1.59 | 0.0865 | -1.342 | — |
| P63mc (No. 186) | hexagonal | 1.24 | 0.1064 | -4.490 | 2.90 |
| P63mc (No. 186) | hexagonal | 1.39 | 0.1132 | -1.327 | — |
| P63mc (No. 186) | hexagonal | — | — | — | 3.16 |
| P63mc (No. 186) | hexagonal | — | — | — | 2.96 |
| P63mc (No. 186) | hexagonal | — | — | — | 3.02 |
| P63mc (No. 186) | hexagonal | — | — | — | 2.90 |
Frequently Asked Questions
Common questions about K4Sb2O3, answered from cross-validated data.
What is K4Sb2O3?
K4Sb2O3 is a semiconducting potassium antimonide oxide that exists in a metastable state.
What is the band gap of K4Sb2O3?
Is K4Sb2O3 a metal, semiconductor, or insulator?
Is K4Sb2O3 thermodynamically stable?
What is the crystal structure of K4Sb2O3?
What is the density of K4Sb2O3?
How many polymorphs of K4Sb2O3 are known?
What elements does K4Sb2O3 contain?
Where does the data for K4Sb2O3 come from?
How It Compares
As a unique entry in its chemical category, K4Sb2O3 serves as a representative of complex alkali metal antimonide oxides. Its semiconducting nature and metastable status highlight the intricate balance of bonding forces required to maintain such an oxide structure compared to more stable, common binary oxides.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- 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.
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