F9RbU2
F9RbU2 is a semimetallic rubidium uranium fluoride that is theoretically stable enough to be a target for laboratory synthesis.
About F9RbU2
F9RbU2 is a complex fluoride compound containing rubidium and uranium. Its electronic structure characterizes it as a near-zero-gap material, placing it in the semimetallic regime which is of significant interest for fundamental condensed matter studies.
As a near-hull phase, this compound is considered a promising candidate for experimental synthesis. The presence of multiple reported structures suggests a rich configurational landscape, making it a subject of interest for researchers investigating uranium-based inorganic chemistry.
Key Properties
Cross-validated computational properties for F9RbU2, 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 F9RbU2. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for F9RbU2, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for F9RbU2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.16 | 0.0042 | -7.238 | 6.65 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.79 |
| P6/mmm (No. 191) | hexagonal | — | — | — | 6.28 |
Applications
Where F9RbU2 is used.
Frequently Asked Questions
Common questions about F9RbU2, answered from cross-validated data.
What is F9RbU2?
F9RbU2 is a semimetallic rubidium uranium fluoride that is theoretically stable enough to be a target for laboratory synthesis.
What is F9RbU2 used for?
What is the band gap of F9RbU2?
Is F9RbU2 a metal, semiconductor, or insulator?
Is F9RbU2 thermodynamically stable?
What is the crystal structure of F9RbU2?
What is the density of F9RbU2?
How many polymorphs of F9RbU2 are known?
What elements does F9RbU2 contain?
Where does the data for F9RbU2 come from?
How It Compares
As a unique uranium-based fluoride, F9RbU2 occupies a specialized niche within inorganic chemistry. Unlike more conventional wide-gap insulating fluorides, its semimetallic nature distinguishes it as a material with distinct electronic transport potential.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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