Na4SnO3
Na4SnO3 is a thermodynamically stable, semiconducting perovskite oxide that serves as a fundamental material for solid-state research.
About Na4SnO3
Na4SnO3 is a thermodynamically stable perovskite oxide that sits securely on the convex hull. As a semiconducting member of the oxide family, it offers unique electronic characteristics that make it a subject of interest for researchers investigating stable inorganic frameworks. Its structural data is well-documented across multiple databases, reflecting its importance in the study of sodium-based oxide systems. This compound serves as a critical building block for understanding how alkali metal incorporation influences the lattice dynamics and electronic behavior of perovskite-type materials. Its stability makes it a reliable candidate for further experimental investigation in solid-state chemistry.
Key Properties
Cross-validated computational properties for Na4SnO3, 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 Na4SnO3. 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 Na4SnO3, 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. |
|---|---|---|---|---|---|
| — | — | 2.00 | 0.0000 | -1.626 | — |
| Cc (No. 9) | monoclinic | 1.99 | 0.0000 | -1.560 | — |
| Cc (No. 9) | monoclinic | 1.88 | 0.0000 | -4.675 | 3.27 |
| Cc (No. 9) | monoclinic | — | — | — | 3.24 |
| Cc (No. 9) | monoclinic | — | — | — | 3.20 |
| Cc (No. 9) | monoclinic | — | — | — | 3.10 |
Applications
Where Na4SnO3 is used.
Frequently Asked Questions
Common questions about Na4SnO3, answered from cross-validated data.
What is Na4SnO3?
Na4SnO3 is a thermodynamically stable, semiconducting perovskite oxide that serves as a fundamental material for solid-state research.
What is Na4SnO3 used for?
What is the band gap of Na4SnO3?
Is Na4SnO3 a metal, semiconductor, or insulator?
Is Na4SnO3 thermodynamically stable?
What is the crystal structure of Na4SnO3?
How many polymorphs of Na4SnO3 are known?
What elements does Na4SnO3 contain?
Where does the data for Na4SnO3 come from?
How It Compares
Within the perovskite oxides class.
Unlike the transition-metal-heavy perovskites such as LaNiO3, LaMnO3, or BaTiO3, which are frequently studied for their complex magnetic or ferroelectric properties, Na4SnO3 represents a distinct class of alkali-rich oxides. While materials like BiFeO3 or LaCoO3 are often characterized by their multiferroic or catalytic potential, Na4SnO3 is defined by its robust thermodynamic stability and simpler electronic profile, providing a stable baseline for comparing the effects of different cation substitutions within the perovskite lattice.
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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