MgVF4
MgVF4 is a metastable, semiconducting magnesium vanadium fluoride compound of interest for fundamental materials research.
About MgVF4
MgVF4 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable material, it represents a unique phase that offers researchers insight into the structural diversity of magnesium-vanadium-fluorine systems.
Its existence across multiple reported structures highlights its significance in fundamental materials research. By investigating this compound, scientists aim to better understand the stability limits and phase transitions inherent in these types of transition metal fluorides.
Key Properties
Cross-validated computational properties for MgVF4, 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 MgVF4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.37 | 0.0967 | -6.373 | 3.43 |
| P-1 (No. 2) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 3.39 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.81 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.85 |
Frequently Asked Questions
Common questions about MgVF4, answered from cross-validated data.
What is MgVF4?
MgVF4 is a metastable, semiconducting magnesium vanadium fluoride compound of interest for fundamental materials research.
What is the band gap of MgVF4?
Is MgVF4 a metal, semiconductor, or insulator?
Is MgVF4 thermodynamically stable?
What is the crystal structure of MgVF4?
What is the density of MgVF4?
How many polymorphs of MgVF4 are known?
What elements does MgVF4 contain?
Where does the data for MgVF4 come from?
How It Compares
As a relatively rare and distinct composition, MgVF4 serves as a specialized case study within the broader landscape of transition metal-magnesium fluorides, providing a unique structural profile that differs from more common, highly stable fluoride frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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