F12O4Rb4V4
F12O4Rb4V4 is a thermodynamically stable, semiconducting quaternary compound composed of rubidium, vanadium, oxygen, and fluorine.
About F12O4Rb4V4
F12O4Rb4V4 is a complex inorganic compound composed of fluorine, oxygen, rubidium, and vanadium. As a thermodynamically stable material situated on the convex hull, it represents a robust structural configuration that is of significant interest for fundamental solid-state studies.
The electronic character of this material is semiconducting, which suggests potential utility in electronic or optoelectronic applications. Given its unique elemental composition, it serves as a specialized subject for researchers investigating the interplay between transition metals and halide-oxide frameworks.
Key Properties
Cross-validated computational properties for F12O4Rb4V4, 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 F12O4Rb4V4, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 2.70 | 0.0000 | -6.434 | 3.38 |
| Pbam (No. 55) | orthorhombic | 2.73 | 0.0015 | -6.433 | 3.65 |
| No. 0 | unknown | — | — | — | 0.91 |
| Pbam (No. 55) | — | — | — | — | — |
Applications
Where F12O4Rb4V4 is used.
Frequently Asked Questions
Common questions about F12O4Rb4V4, answered from cross-validated data.
What is F12O4Rb4V4?
F12O4Rb4V4 is a thermodynamically stable, semiconducting quaternary compound composed of rubidium, vanadium, oxygen, and fluorine.
What is F12O4Rb4V4 used for?
What is the band gap of F12O4Rb4V4?
Is F12O4Rb4V4 a metal, semiconductor, or insulator?
Is F12O4Rb4V4 thermodynamically stable?
What is the crystal structure of F12O4Rb4V4?
What is the density of F12O4Rb4V4?
How many polymorphs of F12O4Rb4V4 are known?
What elements does F12O4Rb4V4 contain?
Where does the data for F12O4Rb4V4 come from?
How It Compares
As a distinct quaternary phase, F12O4Rb4V4 occupies a unique position in materials science. Without direct structural siblings in its immediate class, it serves as a primary example of how the integration of fluorine and oxygen within a rubidium-vanadium lattice can result in a stable, semiconducting electronic profile.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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