MgVBiO5
MgVBiO5 is a thermodynamically stable, insulating quaternary oxide composed of magnesium, vanadium, bismuth, and oxygen.
About MgVBiO5
MgVBiO5 is a complex quaternary oxide characterized by its wide-band-gap insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material is of significant interest in solid-state chemistry due to its unique combination of magnesium, vanadium, bismuth, and oxygen. Its stability makes it a compelling candidate for fundamental research into insulating oxide frameworks and potential functional applications in electronic or optical technologies.
Key Properties
Cross-validated computational properties for MgVBiO5, 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 MgVBiO5. 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 MgVBiO5, 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. |
|---|---|---|---|---|---|
| — | — | 3.12 | 0.0000 | -2.318 | — |
| P21/c (No. 14) | monoclinic | 2.98 | 0.0000 | -7.322 | 5.18 |
| P21/c (No. 14) | monoclinic | 2.99 | 0.0025 | -2.362 | — |
| Pbca (No. 61) | orthorhombic | 2.96 | 0.0582 | -7.264 | 5.78 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.18 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.32 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.59 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgVBiO5.
Applications
Where MgVBiO5 is used.
Frequently Asked Questions
Common questions about MgVBiO5, answered from cross-validated data.
What is MgVBiO5?
MgVBiO5 is a thermodynamically stable, insulating quaternary oxide composed of magnesium, vanadium, bismuth, and oxygen.
What is MgVBiO5 used for?
What is the band gap of MgVBiO5?
Is MgVBiO5 a metal, semiconductor, or insulator?
Is MgVBiO5 thermodynamically stable?
What is the crystal structure of MgVBiO5?
What is the density of MgVBiO5?
How many polymorphs of MgVBiO5 are known?
How is MgVBiO5 synthesized?
What elements does MgVBiO5 contain?
Where does the data for MgVBiO5 come from?
How It Compares
As a distinct quaternary oxide, MgVBiO5 occupies a unique position in materials research. Without direct structural analogs in its immediate class, it serves as a primary reference point for studying the interplay between heavy bismuth cations and transition metal vanadium centers within an insulating oxide lattice.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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