Mg14O16TiV
Mg14O16TiV is a metastable semiconducting quaternary oxide containing magnesium, oxygen, titanium, and vanadium.
About Mg14O16TiV
Mg14O16TiV is a complex quaternary oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized configuration within the broader landscape of magnesium-based metal oxides, offering a unique structural arrangement that distinguishes it from simpler binary systems.
This material is characterized by its multi-element composition, which influences its electronic properties and potential for functional applications. Its existence across multiple reported structures suggests a complex energy landscape, making it a subject of interest for researchers studying metastable phases in advanced materials science.
Key Properties
Cross-validated computational properties for Mg14O16TiV, 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 Mg14O16TiV, 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/mmm (No. 123) | tetragonal | 0.14 | 0.0816 | -6.631 | 3.68 |
| Pmmm (No. 47) | orthorhombic | 0.00 | 0.0820 | -6.631 | 3.68 |
| Pmmm (No. 47) | — | — | — | — | — |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about Mg14O16TiV, answered from cross-validated data.
What is Mg14O16TiV?
Mg14O16TiV is a metastable semiconducting quaternary oxide containing magnesium, oxygen, titanium, and vanadium.
What is the band gap of Mg14O16TiV?
Is Mg14O16TiV a metal, semiconductor, or insulator?
Is Mg14O16TiV thermodynamically stable?
What is the crystal structure of Mg14O16TiV?
What is the density of Mg14O16TiV?
How many polymorphs of Mg14O16TiV are known?
What elements does Mg14O16TiV contain?
Where does the data for Mg14O16TiV come from?
How It Compares
As a unique quaternary oxide, this compound occupies a distinct niche within the broader class of complex magnesium-based materials, where it serves as an example of how transition metal incorporation can tune the electronic character of an otherwise insulating oxide framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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