RbCrF6
RbCrF6 is a thermodynamically stable semiconducting fluoride compound composed of rubidium, chromium, and fluorine.
About RbCrF6
RbCrF6 is a complex fluoride material characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of chromium, fluorine, and rubidium atoms that maintains structural integrity under standard conditions. The compound is of significant interest to researchers studying transition metal fluorides due to its well-defined structural landscape. With multiple reported structures across major databases, it serves as a reliable subject for investigating the interplay between electronic behavior and crystalline arrangement in inorganic solids.
Key Properties
Cross-validated computational properties for RbCrF6, 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 RbCrF6, 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-3 (No. 148) | trigonal | 1.42 | 0.0000 | -5.397 | 3.55 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.13 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.36 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.23 |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where RbCrF6 is used.
Frequently Asked Questions
Common questions about RbCrF6, answered from cross-validated data.
What is RbCrF6?
RbCrF6 is a thermodynamically stable semiconducting fluoride compound composed of rubidium, chromium, and fluorine.
What is RbCrF6 used for?
What is the band gap of RbCrF6?
Is RbCrF6 a metal, semiconductor, or insulator?
Is RbCrF6 thermodynamically stable?
What is the crystal structure of RbCrF6?
What is the density of RbCrF6?
How many polymorphs of RbCrF6 are known?
What elements does RbCrF6 contain?
Where does the data for RbCrF6 come from?
How It Compares
As a distinct inorganic fluoride, RbCrF6 occupies a unique position within its chemical family by balancing semiconducting properties with high thermodynamic stability. While many similar transition metal fluorides may exhibit instability or phase transitions, this compound remains a fixed, reliable point in the structural landscape, providing a foundational reference for future studies into complex fluoride systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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