Na4SnO4
Na4SnO4 is a thermodynamically stable, semiconducting perovskite oxide composed of sodium, tin, and oxygen.
About Na4SnO4
Na4SnO4 is a semiconducting oxide that occupies a stable position on the convex hull, indicating robust thermodynamic favorability. As a member of the perovskite oxide family, it exhibits a distinct structural arrangement that influences its electronic behavior and potential for integration into functional devices. Its stability makes it an intriguing subject for researchers investigating alkali-metal-based ternary oxides.
This compound is primarily studied for its structural characteristics and its role in expanding the known phase space of perovskite-related materials. By leveraging its semiconducting nature, scientists aim to explore its utility in specialized electronic or electrochemical applications where stability and specific charge transport properties are required.
Key Properties
Cross-validated computational properties for Na4SnO4, 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 Na4SnO4. 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 Na4SnO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.24 | 0.0000 | -1.808 | — |
| P-1 (No. 2) | triclinic | 2.09 | 0.0000 | -5.100 | 3.43 |
| — | — | 2.21 | 0.0244 | -1.784 | — |
| P-1 (No. 2) | triclinic | 2.22 | 0.0281 | -1.719 | — |
| — | — | 2.20 | 0.0434 | -1.765 | — |
| — | — | 0.77 | 0.2007 | -1.608 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.37 |
| P-1 (No. 2) | triclinic | — | — | — | 3.25 |
| P-1 (No. 2) | triclinic | — | — | — | 3.41 |
| P-1 (No. 2) | triclinic | — | — | — | 3.36 |
Applications
Where Na4SnO4 is used.
Frequently Asked Questions
Common questions about Na4SnO4, answered from cross-validated data.
What is Na4SnO4?
Na4SnO4 is a thermodynamically stable, semiconducting perovskite oxide composed of sodium, tin, and oxygen.
What is Na4SnO4 used for?
What is the band gap of Na4SnO4?
Is Na4SnO4 a metal, semiconductor, or insulator?
Is Na4SnO4 thermodynamically stable?
What is the crystal structure of Na4SnO4?
What is the density of Na4SnO4?
How many polymorphs of Na4SnO4 are known?
What elements does Na4SnO4 contain?
Where does the data for Na4SnO4 come from?
How It Compares
Within the perovskite oxides class.
Unlike the transition-metal-heavy perovskites such as LaNiO3 or BaTiO3, which are frequently utilized for their complex magnetic or ferroelectric properties, Na4SnO4 represents a distinct branch of the class focused on alkali-metal coordination. While siblings like LaMnO3 or BiFeO3 are widely characterized for their multiferroic or catalytic potential, Na4SnO4 is valued for its thermodynamic stability and its specific role in the broader landscape of oxide chemistry.
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)
- 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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