Rb3CrF7
Rb3CrF7 is a semiconducting ternary fluoride compound that is considered thermodynamically accessible for synthesis.
About Rb3CrF7
Rb3CrF7 is a complex fluoride compound composed of rubidium, chromium, and fluorine. As a semiconducting material, it offers unique electronic properties that distinguish it from standard ionic insulators, positioning it as a subject of interest for fundamental solid-state chemistry studies.
The compound is characterized by its position near the thermodynamic stability hull, suggesting that it is a viable target for experimental synthesis. Its presence across multiple structural databases underscores its significance as a well-documented candidate for further exploration in materials discovery.
Key Properties
Cross-validated computational properties for Rb3CrF7, 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 Rb3CrF7, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 1.48 | 0.0053 | -5.306 | 3.90 |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 3.59 |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 3.84 |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 3.72 |
| P4/mbm (No. 127) | — | — | — | — | — |
Applications
Where Rb3CrF7 is used.
Frequently Asked Questions
Common questions about Rb3CrF7, answered from cross-validated data.
What is Rb3CrF7?
Rb3CrF7 is a semiconducting ternary fluoride compound that is considered thermodynamically accessible for synthesis.
What is Rb3CrF7 used for?
What is the band gap of Rb3CrF7?
Is Rb3CrF7 a metal, semiconductor, or insulator?
Is Rb3CrF7 thermodynamically stable?
What is the crystal structure of Rb3CrF7?
What is the density of Rb3CrF7?
How many polymorphs of Rb3CrF7 are known?
What elements does Rb3CrF7 contain?
Where does the data for Rb3CrF7 come from?
How It Compares
As a unique fluoride phase, Rb3CrF7 serves as a representative example of complex ternary metal fluorides. While it currently stands alone in this specific classification context, its structural diversity and semiconducting nature provide a baseline for understanding how chromium-based fluoride networks can be stabilized within a rubidium-rich lattice.
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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