Mg2Ti3O8
Mg2Ti3O8 is a metastable, semiconducting ternary oxide utilized in materials research to explore complex structural and electronic properties.
About Mg2Ti3O8
Mg2Ti3O8 is a complex ternary oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement within the magnesium-titanium-oxygen system, offering distinct pathways for material synthesis and phase transformation studies.
Its existence as a well-documented structure across multiple databases highlights its significance in fundamental materials research. The compound serves as a subject of interest for understanding how specific stoichiometry and atomic ordering influence the electronic properties of transition metal oxides.
Key Properties
Cross-validated computational properties for Mg2Ti3O8, 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 Mg2Ti3O8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 2.65 | 0.0444 | -8.473 | 3.64 |
| C2/m (No. 12) | monoclinic | 2.45 | 0.0564 | -8.461 | 3.67 |
| C2/m (No. 12) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.64 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.81 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.85 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.71 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.67 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.74 |
Applications
Where Mg2Ti3O8 is used.
Frequently Asked Questions
Common questions about Mg2Ti3O8, answered from cross-validated data.
What is Mg2Ti3O8?
Mg2Ti3O8 is a metastable, semiconducting ternary oxide utilized in materials research to explore complex structural and electronic properties.
What is Mg2Ti3O8 used for?
What is the band gap of Mg2Ti3O8?
Is Mg2Ti3O8 a metal, semiconductor, or insulator?
Is Mg2Ti3O8 thermodynamically stable?
What is the crystal structure of Mg2Ti3O8?
What is the density of Mg2Ti3O8?
How many polymorphs of Mg2Ti3O8 are known?
What elements does Mg2Ti3O8 contain?
Where does the data for Mg2Ti3O8 come from?
How It Compares
As a specialized ternary oxide, Mg2Ti3O8 occupies a distinct niche in the landscape of magnesium titanates. While it lacks direct structural siblings in this specific classification, it serves as a critical reference point for researchers investigating the stability limits and semiconducting potential of complex oxides compared to more common binary or simpler ternary phases.
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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