K2Sn2O3
K2Sn2O3 is a stable, semiconducting perovskite oxide that serves as an important material for exploring the electronic properties of tin-based oxide frameworks.
About K2Sn2O3
K2Sn2O3 is a thermodynamically stable perovskite oxide that occupies a position on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers distinct electronic characteristics that differentiate it from the more common insulating or metallic perovskites found in modern research. Its structural diversity is highlighted by numerous reported configurations across multiple databases, making it a subject of interest for fundamental materials study. This compound serves as a critical example of how alkali metal incorporation influences the lattice dynamics and electronic behavior of tin-based oxide frameworks. By exploring its unique stoichiometry, researchers can better understand the potential for tuning electronic properties within the broader perovskite class.
Key Properties
Cross-validated computational properties for K2Sn2O3, 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 K2Sn2O3. 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 K2Sn2O3, 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. |
|---|---|---|---|---|---|
| I213 (No. 199) | cubic | 1.58 | 0.0000 | -1.627 | — |
| — | — | 1.34 | 0.0000 | -1.659 | — |
| I213 (No. 199) | cubic | 1.30 | 0.0000 | -5.332 | 4.14 |
| R32 (No. 155) | trigonal | 1.26 | 0.0007 | -1.626 | — |
| R-3m (No. 166) | trigonal | 1.22 | 0.0058 | -5.326 | 4.07 |
| — | — | 1.21 | 0.0083 | -1.650 | — |
| — | — | 1.21 | 0.0091 | -1.649 | — |
| R-3m (No. 166) | trigonal | 1.21 | 0.0165 | -1.610 | — |
| — | — | 2.44 | 0.0207 | -1.638 | — |
| — | — | 1.73 | 0.0694 | -1.589 | — |
| — | — | 1.21 | 0.1779 | -1.481 | — |
| R-3m (No. 166) | trigonal | — | — | — | 4.05 |
Applications
Where K2Sn2O3 is used.
Frequently Asked Questions
Common questions about K2Sn2O3, answered from cross-validated data.
What is K2Sn2O3?
K2Sn2O3 is a stable, semiconducting perovskite oxide that serves as an important material for exploring the electronic properties of tin-based oxide frameworks.
What is K2Sn2O3 used for?
What is the band gap of K2Sn2O3?
Is K2Sn2O3 a metal, semiconductor, or insulator?
Is K2Sn2O3 thermodynamically stable?
What is the crystal structure of K2Sn2O3?
What is the density of K2Sn2O3?
How many polymorphs of K2Sn2O3 are known?
What elements does K2Sn2O3 contain?
Where does the data for K2Sn2O3 come from?
How It Compares
Within the perovskite oxides class.
Unlike the widely studied transition-metal-based perovskites such as BaTiO3 or LaMnO3, which are frequently utilized for their ferroelectric or magnetic properties, K2Sn2O3 focuses on the semiconducting potential of tin-based oxide systems. While members like LaAlO3 are primarily valued for their dielectric and substrate properties, K2Sn2O3 provides a different structural archetype that expands the functional range of the perovskite family beyond the conventional lanthanide-based structures.
Related Compounds
Other Perovskite Oxides in the database.
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)
- 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)
- 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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