Na2Sn2O3
Na2Sn2O3 is a metastable semiconducting perovskite oxide composed of sodium, tin, and oxygen.
About Na2Sn2O3
Na2Sn2O3 is a semiconducting oxide belonging to the perovskite family. As a metastable phase, it represents a unique structural configuration that challenges conventional synthesis pathways, making it a subject of significant interest for materials scientists exploring non-equilibrium oxide chemistry.
Its electronic character suggests potential utility in specialized semiconductor applications where specific band structures are required. The compound is characterized by its distinct arrangement of sodium, tin, and oxygen atoms, which provides a foundation for studying the stability and electronic behavior of tin-based perovskite derivatives.
Key Properties
Cross-validated computational properties for Na2Sn2O3, 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 Na2Sn2O3. 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 Na2Sn2O3, 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. |
|---|---|---|---|---|---|
| — | — | 0.34 | 0.0718 | -1.637 | — |
| I213 (No. 199) | cubic | 0.51 | 0.0819 | -1.551 | — |
| I213 (No. 199) | cubic | 0.43 | 0.0840 | -5.337 | 4.53 |
| — | — | 1.81 | 0.1106 | -1.598 | — |
| — | — | 0.00 | 0.1177 | -1.591 | — |
| — | — | 2.08 | 0.1480 | -1.560 | — |
| — | — | 1.02 | 0.2251 | -1.483 | — |
| I213 (No. 199) | cubic | — | — | — | 4.77 |
| I213 (No. 199) | cubic | — | — | — | 4.69 |
| I213 (No. 199) | cubic | — | — | — | 4.53 |
Applications
Where Na2Sn2O3 is used.
Frequently Asked Questions
Common questions about Na2Sn2O3, answered from cross-validated data.
What is Na2Sn2O3?
Na2Sn2O3 is a metastable semiconducting perovskite oxide composed of sodium, tin, and oxygen.
What is Na2Sn2O3 used for?
What is the band gap of Na2Sn2O3?
Is Na2Sn2O3 a metal, semiconductor, or insulator?
Is Na2Sn2O3 thermodynamically stable?
What is the crystal structure of Na2Sn2O3?
How many polymorphs of Na2Sn2O3 are known?
What elements does Na2Sn2O3 contain?
Where does the data for Na2Sn2O3 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly stable and widely utilized BaTiO3 or the robust perovskite structures like LaAlO3 and LaFeO3, Na2Sn2O3 exists in a metastable state. While many of its siblings in the perovskite class are prized for their structural longevity and well-defined phase diagrams, this compound offers a more complex, transient landscape for researchers investigating the limits of perovskite stability.
Related Compounds
Other Perovskite Oxides in the database.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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