MgO16Ti3V5
MgO16Ti3V5 is a metastable, semiconducting quaternary oxide containing magnesium, titanium, and vanadium.
About MgO16Ti3V5
MgO16Ti3V5 is a complex quaternary oxide composed of magnesium, titanium, and vanadium. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary oxides, making it a subject of interest for researchers investigating multi-component transition metal systems.
This compound is classified as metastable, indicating that it exists in a state that requires specific synthetic conditions to stabilize. With multiple reported structural variations across various databases, it represents a versatile platform for exploring the interplay between different metal cations within an oxygen framework.
Key Properties
Cross-validated computational properties for MgO16Ti3V5, 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 MgO16Ti3V5, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.90 | 0.0773 | -8.850 | 3.96 |
| P1 (No. 1) | triclinic | 0.49 | 0.0858 | -8.842 | 3.95 |
| P1 (No. 1) | triclinic | 1.15 | 0.1039 | -8.823 | 3.94 |
| P1 (No. 1) | triclinic | 1.02 | 0.1075 | -8.820 | 3.94 |
| P1 (No. 1) | triclinic | 0.80 | 0.1085 | -8.819 | 3.96 |
| P1 (No. 1) | triclinic | 0.93 | 0.1094 | -8.818 | 3.98 |
| P1 (No. 1) | triclinic | 0.82 | 0.1285 | -8.799 | 3.85 |
| P1 (No. 1) | triclinic | 1.14 | 0.1333 | -8.794 | 3.80 |
| P1 (No. 1) | triclinic | 1.28 | 0.1417 | -8.786 | 3.80 |
| P1 (No. 1) | triclinic | 0.86 | 0.1529 | -8.774 | 3.80 |
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Applications
Where MgO16Ti3V5 is used.
Frequently Asked Questions
Common questions about MgO16Ti3V5, answered from cross-validated data.
What is MgO16Ti3V5?
MgO16Ti3V5 is a metastable, semiconducting quaternary oxide containing magnesium, titanium, and vanadium.
What is MgO16Ti3V5 used for?
What is the band gap of MgO16Ti3V5?
Is MgO16Ti3V5 a metal, semiconductor, or insulator?
Is MgO16Ti3V5 thermodynamically stable?
What is the crystal structure of MgO16Ti3V5?
What is the density of MgO16Ti3V5?
How many polymorphs of MgO16Ti3V5 are known?
What elements does MgO16Ti3V5 contain?
Where does the data for MgO16Ti3V5 come from?
How It Compares
As a unique quaternary oxide, MgO16Ti3V5 serves as a specialized example of complex transition metal chemistry. Unlike simpler, highly stable binary oxides, this material occupies a distinct niche where its metastable nature allows for the exploration of diverse structural arrangements that are not accessible in more common, equilibrium-phase compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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