MgVAgO4
MgVAgO4 is a semiconducting quaternary oxide that is considered thermodynamically stable and a candidate for experimental synthesis.
About MgVAgO4
MgVAgO4 is a quaternary oxide composed of magnesium, vanadium, silver, and oxygen. As a semiconducting material, it occupies a unique position in solid-state chemistry, offering distinct electronic properties that arise from the interaction of its constituent transition metal and alkaline earth elements.
This compound is categorized as a near-hull material, indicating that it is thermodynamically favorable and likely synthesizable under appropriate laboratory conditions. Its existence across multiple structural databases highlights its potential as a subject for further experimental investigation in materials science.
Key Properties
Cross-validated computational properties for MgVAgO4, 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 MgVAgO4. 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 MgVAgO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.18 | 0.0063 | -2.213 | — |
| Pnma (No. 62) | orthorhombic | 2.21 | 0.0192 | -6.922 | 4.66 |
| — | — | 2.38 | 0.0331 | -2.090 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.05 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.66 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.80 |
Applications
Where MgVAgO4 is used.
Frequently Asked Questions
Common questions about MgVAgO4, answered from cross-validated data.
What is MgVAgO4?
MgVAgO4 is a semiconducting quaternary oxide that is considered thermodynamically stable and a candidate for experimental synthesis.
What is MgVAgO4 used for?
What is the band gap of MgVAgO4?
Is MgVAgO4 a metal, semiconductor, or insulator?
Is MgVAgO4 thermodynamically stable?
What is the crystal structure of MgVAgO4?
How many polymorphs of MgVAgO4 are known?
What elements does MgVAgO4 contain?
Where does the data for MgVAgO4 come from?
How It Compares
As a quaternary oxide with a semiconducting electronic profile, MgVAgO4 represents a specialized composition within the broader landscape of complex metal oxides. While it does not share a direct structural class with other common binary or ternary oxides, its near-hull stability suggests it could serve as a model for exploring how silver and vanadium integration influences the electronic behavior of magnesium-based oxide frameworks.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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