F24Hf6O2Rb4
F24Hf6O2Rb4 is a thermodynamically stable, wide-band-gap insulating compound composed of hafnium, rubidium, oxygen, and fluorine.
About F24Hf6O2Rb4
F24Hf6O2Rb4 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull confirms that it is a thermodynamically stable material, making it a subject of interest for fundamental solid-state research.
Given its unique composition of hafnium, rubidium, oxygen, and fluorine, this material serves as a specialized structural model. Its stability and insulating nature suggest potential utility in advanced dielectric applications or as a precursor in complex materials synthesis.
Key Properties
Cross-validated computational properties for F24Hf6O2Rb4, 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 F24Hf6O2Rb4, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 6.28 | 0.0000 | -7.282 | 6.29 |
| R-3m (No. 166) | — | — | — | — | — |
| — | — | — | — | — | 4.87 |
Applications
Where F24Hf6O2Rb4 is used.
Frequently Asked Questions
Common questions about F24Hf6O2Rb4, answered from cross-validated data.
What is F24Hf6O2Rb4?
F24Hf6O2Rb4 is a thermodynamically stable, wide-band-gap insulating compound composed of hafnium, rubidium, oxygen, and fluorine.
What is F24Hf6O2Rb4 used for?
What is the band gap of F24Hf6O2Rb4?
Is F24Hf6O2Rb4 a metal, semiconductor, or insulator?
Is F24Hf6O2Rb4 thermodynamically stable?
What is the crystal structure of F24Hf6O2Rb4?
What is the density of F24Hf6O2Rb4?
How many polymorphs of F24Hf6O2Rb4 are known?
What elements does F24Hf6O2Rb4 contain?
Where does the data for F24Hf6O2Rb4 come from?
How It Compares
As a distinct inorganic phase, F24Hf6O2Rb4 occupies a unique niche within its chemical system. Unlike more common binary oxides or simple fluorides, this compound demonstrates a complex structural arrangement that highlights the diverse coordination chemistry possible when combining these specific elements.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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