MgO2V
MgO2V is a metastable, semiconducting ternary oxide compound studied for its complex structural properties.
About MgO2V
MgO2V is a complex ternary oxide that exhibits semiconducting electronic behavior. As a material that resides above the thermodynamic hull, it is considered a metastable phase, which presents unique challenges and opportunities for synthesis and characterization in solid-state chemistry.
Given its status as a metastable compound, MgO2V is primarily of interest to researchers investigating phase stability and structural diversity. Its existence across multiple reported structures suggests a rich potential for exploration in specialized materials science applications where non-equilibrium states are utilized.
Key Properties
Cross-validated computational properties for MgO2V, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MgO2V. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MgO2V, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 0.37 | 0.2534 | -7.488 | 4.21 |
| P-1 (No. 2) | triclinic | 0.49 | 0.2689 | -7.472 | 3.90 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.3107 | -7.431 | 3.93 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.3260 | -7.415 | 3.37 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.4045 | -7.337 | 3.71 |
| — | — | — | — | — | 4.68 |
| — | — | — | — | — | 3.46 |
| No. 0 | unknown | — | — | — | 0.64 |
Frequently Asked Questions
Common questions about MgO2V, answered from cross-validated data.
What is MgO2V?
MgO2V is a metastable, semiconducting ternary oxide compound studied for its complex structural properties.
What is the band gap of MgO2V?
Is MgO2V a metal, semiconductor, or insulator?
Is MgO2V thermodynamically stable?
What is the crystal structure of MgO2V?
What is the density of MgO2V?
How many polymorphs of MgO2V are known?
What elements does MgO2V contain?
Where does the data for MgO2V come from?
How It Compares
As a metastable ternary oxide, MgO2V represents a specialized case within the broader landscape of magnesium-vanadium-oxygen compounds. Unlike more stable, well-characterized oxides, its position above the hull makes it a subject of fundamental study regarding the limits of structural formation and chemical stability.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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