RbNiF3
RbNiF3 is a thermodynamically stable, insulating fluoride compound composed of rubidium, nickel, and fluorine.
About RbNiF3
RbNiF3 is a complex fluoride compound characterized by its insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical system.
This material is of significant interest in materials science due to its stable framework and distinct electronic properties. It serves as a valuable subject for researchers investigating the interplay between transition metal ions and fluoride lattices in solid-state chemistry.
Key Properties
Cross-validated computational properties for RbNiF3, 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 RbNiF3, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 4.69 | 0.0000 | -5.116 | 4.77 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.53 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.76 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.73 |
| Pm-3m (No. 221) | — | — | — | — | — |
Applications
Where RbNiF3 is used.
Frequently Asked Questions
Common questions about RbNiF3, answered from cross-validated data.
What is RbNiF3?
RbNiF3 is a thermodynamically stable, insulating fluoride compound composed of rubidium, nickel, and fluorine.
What is RbNiF3 used for?
What is the band gap of RbNiF3?
Is RbNiF3 a metal, semiconductor, or insulator?
Is RbNiF3 thermodynamically stable?
What is the crystal structure of RbNiF3?
What is the density of RbNiF3?
How many polymorphs of RbNiF3 are known?
What elements does RbNiF3 contain?
Where does the data for RbNiF3 come from?
How It Compares
As a distinct fluoride compound, RbNiF3 occupies a unique position in the landscape of nickel-based ternary fluorides. It serves as a primary example of stable insulating materials within this chemical family, providing a foundational reference point for studying structural variations in similar transition metal fluoride systems.
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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