Ti4Zn3SnO12
Ti4Zn3SnO12 is a semiconducting quaternary oxide that exists as a metastable phase within complex metal-oxygen systems.
About Ti4Zn3SnO12
Ti4Zn3SnO12 is a complex quaternary oxide composed of titanium, zinc, tin, and oxygen. As a semiconducting material, it represents a specific arrangement of these elements within a crystalline lattice, drawing interest from researchers investigating multi-component oxide systems. The compound is characterized by its position above the thermodynamic hull, suggesting it is a metastable phase. Its existence across multiple reported structures highlights the ongoing exploration into the phase stability and synthesis pathways of such intricate oxide combinations.
Key Properties
Cross-validated computational properties for Ti4Zn3SnO12, 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 Ti4Zn3SnO12, 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. |
|---|---|---|---|---|---|
| Im-3 (No. 204) | cubic | 1.42 | 0.1059 | -7.637 | 5.37 |
| Im-3m (No. 229) | cubic | 0.84 | 0.4347 | -7.308 | 5.00 |
| Im-3 (No. 204) | — | — | — | — | — |
| Im-3 (No. 204) | Cubic | — | — | — | 5.37 |
| Im-3 (No. 204) | Cubic | — | — | — | 5.52 |
| Im-3 (No. 204) | Cubic | — | — | — | 5.69 |
Applications
Where Ti4Zn3SnO12 is used.
Frequently Asked Questions
Common questions about Ti4Zn3SnO12, answered from cross-validated data.
What is Ti4Zn3SnO12?
Ti4Zn3SnO12 is a semiconducting quaternary oxide that exists as a metastable phase within complex metal-oxygen systems.
What is Ti4Zn3SnO12 used for?
What is the band gap of Ti4Zn3SnO12?
Is Ti4Zn3SnO12 a metal, semiconductor, or insulator?
Is Ti4Zn3SnO12 thermodynamically stable?
What is the crystal structure of Ti4Zn3SnO12?
What is the density of Ti4Zn3SnO12?
How many polymorphs of Ti4Zn3SnO12 are known?
What elements does Ti4Zn3SnO12 contain?
Where does the data for Ti4Zn3SnO12 come from?
How It Compares
As a unique quaternary oxide, Ti4Zn3SnO12 occupies a specialized niche within the broader landscape of metal oxides. Unlike more common binary or ternary oxides, this compound represents a complex stoichiometry that challenges conventional stability expectations, serving as a case study for the synthesis of metastable phases in multi-element systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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