Sn3O4
Sn3O4 is a semiconducting tin oxide material investigated for its potential application as an anode in energy storage devices.
About Sn3O4
Sn3O4 is a semiconducting binary oxide that functions within the class of conversion oxide anodes. Its electronic structure and composition make it a subject of interest for researchers exploring alternative materials for advanced battery technologies.
Despite being situated above the thermodynamic hull, the compound remains a point of investigation due to the diverse structural configurations reported in materials databases. It represents a complex phase in the tin-oxygen system, offering unique pathways for electrochemical activity.
Key Properties
Cross-validated computational properties for Sn3O4, aggregated across 2 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 Sn3O4. 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 Sn3O4, 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. |
|---|---|---|---|---|---|
| — | — | 0.58 | 0.1023 | -1.615 | — |
| P2/c (No. 13) | monoclinic | 0.93 | 0.2568 | -6.125 | 5.43 |
| — | — | 0.00 | 0.2571 | -1.460 | — |
| — | — | 0.00 | 0.3334 | -1.383 | — |
| P4/mnc (No. 128) | tetragonal | 0.00 | 0.3576 | -6.024 | 5.04 |
| P1 (No. 1) | triclinic | — | — | — | 4.57 |
| P-1 (No. 2) | triclinic | — | — | — | 7.01 |
| P-1 (No. 2) | triclinic | — | — | — | 6.53 |
| P-1 (No. 2) | triclinic | — | — | — | 4.56 |
| P-1 (No. 2) | triclinic | — | — | — | 5.52 |
| P-1 (No. 2) | triclinic | — | — | — | 5.34 |
| C2 (No. 5) | monoclinic | — | — | — | 9.12 |
Applications
Where Sn3O4 is used.
Frequently Asked Questions
Common questions about Sn3O4, answered from cross-validated data.
What is Sn3O4?
Sn3O4 is a semiconducting tin oxide material investigated for its potential application as an anode in energy storage devices.
What is Sn3O4 used for?
What is the band gap of Sn3O4?
Is Sn3O4 a metal, semiconductor, or insulator?
Is Sn3O4 thermodynamically stable?
What is the crystal structure of Sn3O4?
What is the density of Sn3O4?
How many polymorphs of Sn3O4 are known?
What elements does Sn3O4 contain?
Where does the data for Sn3O4 come from?
How It Compares
Within the conversion oxide anodes class.
Within the broader family of conversion oxide anodes, Sn3O4 occupies a distinct niche compared to more stable, widely utilized oxides like SnO2 or Fe2O3. While siblings such as Co3O4 and MnO2 are frequently characterized for their robust cycling performance, Sn3O4 is notable for its structural complexity and the challenges associated with its thermodynamic metastability.
Related Compounds
Other Conversion Oxide Anodes 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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