MgTi4O9
MgTi4O9 is a semiconducting magnesium titanium oxide that exists as a metastable phase within its chemical system.
About MgTi4O9
MgTi4O9 is a complex oxide composed of magnesium, titanium, and oxygen. As a semiconducting material, it represents a specific stoichiometry within the magnesium-titanium-oxygen system that has been identified across multiple structural databases.
While this compound is currently classified as being above the thermodynamic hull, its existence in several reported structures makes it a subject of interest for researchers investigating metastable phases in oxide ceramics. Its electronic properties suggest potential utility in specialized semiconductor applications.
Key Properties
Cross-validated computational properties for MgTi4O9, 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 MgTi4O9, 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. |
|---|---|---|---|---|---|
| P4/n (No. 85) | tetragonal | 2.55 | 0.1616 | -8.851 | 3.36 |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.36 |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.52 |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.41 |
| P4/n (No. 85) | — | — | — | — | — |
Applications
Where MgTi4O9 is used.
Frequently Asked Questions
Common questions about MgTi4O9, answered from cross-validated data.
What is MgTi4O9?
MgTi4O9 is a semiconducting magnesium titanium oxide that exists as a metastable phase within its chemical system.
What is MgTi4O9 used for?
What is the band gap of MgTi4O9?
Is MgTi4O9 a metal, semiconductor, or insulator?
Is MgTi4O9 thermodynamically stable?
What is the crystal structure of MgTi4O9?
What is the density of MgTi4O9?
How many polymorphs of MgTi4O9 are known?
What elements does MgTi4O9 contain?
Where does the data for MgTi4O9 come from?
How It Compares
As a unique stoichiometry within the broader family of magnesium titanates, MgTi4O9 occupies a distinct position compared to more common, highly stable phases like magnesium metatitanate or orthotitanate, often serving as a point of comparison for structural stability and phase formation in high-temperature synthesis.
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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