K4MgV6O16
K4MgV6O16 is a metastable, semiconducting quaternary oxide containing potassium, magnesium, and vanadium.
About K4MgV6O16
K4MgV6O16 is a complex quaternary oxide incorporating potassium, magnesium, vanadium, and oxygen. As a semiconducting material, it represents a specialized chemical system that bridges the structural characteristics of alkali-metal vanadates with divalent metal incorporation. Its electronic nature makes it a subject of interest for fundamental studies in solid-state chemistry and materials design.
Because this compound is classified as metastable, it occupies a unique position in the landscape of synthetic inorganic chemistry. The material is characterized by a complex structural framework, reflecting the diverse coordination environments available to vanadium and magnesium within the oxygen lattice. Researchers investigate such phases to understand the synthesis pathways and stability limits of intricate metal-oxide architectures.
Key Properties
Cross-validated computational properties for K4MgV6O16, aggregated across 2 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 K4MgV6O16, 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 | 1.03 | 0.0864 | -7.598 | 2.74 |
| P1 (No. 1) | triclinic | 0.74 | 0.0918 | -7.593 | 2.75 |
| Cmm2 (No. 35) | orthorhombic | 1.01 | 0.1474 | -7.537 | 2.63 |
| P4 (No. 75) | tetragonal | 0.05 | 0.1614 | -7.523 | 2.63 |
| Cm (No. 8) | monoclinic | 0.58 | 0.1616 | -7.523 | 2.56 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 2.70 |
| P4 (No. 75) | Tetragonal | — | — | — | 2.85 |
| P1 (No. 1) | Triclinic | — | — | — | 2.83 |
| P1 (No. 1) | Triclinic | — | — | — | 2.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.78 |
| P1 (No. 1) | Triclinic | — | — | — | 2.74 |
| P4 (No. 75) | Tetragonal | — | — | — | 2.70 |
Applications
Where K4MgV6O16 is used.
Frequently Asked Questions
Common questions about K4MgV6O16, answered from cross-validated data.
What is K4MgV6O16?
K4MgV6O16 is a metastable, semiconducting quaternary oxide containing potassium, magnesium, and vanadium.
What is K4MgV6O16 used for?
What is the band gap of K4MgV6O16?
Is K4MgV6O16 a metal, semiconductor, or insulator?
Is K4MgV6O16 thermodynamically stable?
What is the crystal structure of K4MgV6O16?
What is the density of K4MgV6O16?
How many polymorphs of K4MgV6O16 are known?
What elements does K4MgV6O16 contain?
Where does the data for K4MgV6O16 come from?
How It Compares
As a distinct quaternary oxide, K4MgV6O16 serves as a specialized example of the diverse vanadium-based oxide family. While many vanadates are explored for their redox activity and structural flexibility, this specific composition highlights the role of magnesium in modulating the lattice properties of potassium-rich vanadium oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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