Zn3Sn2O7
Zn3Sn2O7 is a metastable, semiconducting oxide material utilized in advanced catalytic research.
About Zn3Sn2O7
Zn3Sn2O7 is a complex oxide belonging to the spinel-related family, characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized material within the broader landscape of transition metal oxides, offering distinct structural arrangements that influence its chemical reactivity.
This compound is primarily investigated for its role in catalytic processes where surface interactions and electronic states are critical. Its unique composition of zinc and tin within an oxygen framework makes it a subject of interest for researchers looking to tune catalytic performance through structural control.
Key Properties
Cross-validated computational properties for Zn3Sn2O7, 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.
Reported Structures
Lowest-energy structures reported for Zn3Sn2O7, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.99 | 0.0636 | -5.755 | 6.50 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.50 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.04 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.78 |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where Zn3Sn2O7 is used.
Frequently Asked Questions
Common questions about Zn3Sn2O7, answered from cross-validated data.
What is Zn3Sn2O7?
Zn3Sn2O7 is a metastable, semiconducting oxide material utilized in advanced catalytic research.
What is Zn3Sn2O7 used for?
What is the band gap of Zn3Sn2O7?
Is Zn3Sn2O7 a metal, semiconductor, or insulator?
Is Zn3Sn2O7 thermodynamically stable?
What is the crystal structure of Zn3Sn2O7?
What is the density of Zn3Sn2O7?
How many polymorphs of Zn3Sn2O7 are known?
What elements does Zn3Sn2O7 contain?
Where does the data for Zn3Sn2O7 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel and related oxides, Zn3Sn2O7 occupies a more specialized niche compared to highly stable, widely utilized materials like MgAl2O4 or simple binary oxides such as ZnO. While many of its siblings are prized for their extreme thermodynamic robustness, Zn3Sn2O7 is notable for its metastability, which can offer unique advantages in kinetic control and surface-active catalytic pathways that are not accessible with more inert, fully stable structures.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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