Rb2CrF6
Rb2CrF6 is a thermodynamically stable, semiconducting inorganic fluoride compound characterized by its well-defined structural properties.
About Rb2CrF6
Rb2CrF6 is a complex fluoride compound that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating the interplay between transition metal centers and halide frameworks. The material is well-documented with multiple structural variations reported across databases, reflecting its versatility in crystalline arrangements. This stability suggests potential for integration into specialized chemical systems where robust inorganic frameworks are required. As a semiconducting material, it serves as a platform for studying electronic transitions within fluoride-based lattices, contributing to the broader understanding of transition metal halide chemistry.
Key Properties
Cross-validated computational properties for Rb2CrF6, 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 Rb2CrF6, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 1.88 | 0.0000 | -5.531 | 3.68 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0065 | -5.525 | 3.36 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.36 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.60 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.49 |
Applications
Where Rb2CrF6 is used.
Frequently Asked Questions
Common questions about Rb2CrF6, answered from cross-validated data.
What is Rb2CrF6?
Rb2CrF6 is a thermodynamically stable, semiconducting inorganic fluoride compound characterized by its well-defined structural properties.
What is Rb2CrF6 used for?
What is the band gap of Rb2CrF6?
Is Rb2CrF6 a metal, semiconductor, or insulator?
Is Rb2CrF6 thermodynamically stable?
What is the crystal structure of Rb2CrF6?
What is the density of Rb2CrF6?
How many polymorphs of Rb2CrF6 are known?
What elements does Rb2CrF6 contain?
Where does the data for Rb2CrF6 come from?
How It Compares
As a distinct inorganic fluoride, Rb2CrF6 occupies a unique niche in materials science. While it represents a stable configuration within its chemical family, its specific semiconducting behavior distinguishes it from more common insulating fluoride salts, positioning it as a specialized candidate for electronic or optical studies.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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