F36Rb4Th8
F36Rb4Th8 is a stable, insulating fluoride compound containing rubidium and thorium.
About F36Rb4Th8
F36Rb4Th8 is a complex fluoride compound that exhibits a wide-band-gap insulating electronic character. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of rubidium, thorium, and fluorine atoms.
This material is of significant interest in solid-state chemistry due to its structural integrity and distinct electronic properties. Its stability makes it a compelling candidate for fundamental research into the behavior of thorium-based halide systems.
Key Properties
Cross-validated computational properties for F36Rb4Th8, aggregated across 4 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 F36Rb4Th8, 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 | 6.36 | 0.0000 | -7.041 | 6.11 |
| — | — | — | — | — | 5.00 |
| No. 0 | unknown | — | — | — | 2.27 |
| Pnma (No. 62) | — | — | — | — | — |
Frequently Asked Questions
Common questions about F36Rb4Th8, answered from cross-validated data.
What is F36Rb4Th8?
F36Rb4Th8 is a stable, insulating fluoride compound containing rubidium and thorium.
What is the band gap of F36Rb4Th8?
Is F36Rb4Th8 a metal, semiconductor, or insulator?
Is F36Rb4Th8 thermodynamically stable?
What is the crystal structure of F36Rb4Th8?
What is the density of F36Rb4Th8?
How many polymorphs of F36Rb4Th8 are known?
What elements does F36Rb4Th8 contain?
Where does the data for F36Rb4Th8 come from?
How It Compares
As a unique fluoride phase, F36Rb4Th8 serves as a structural reference point for complex actinide-containing halides, demonstrating high thermodynamic stability within its compositional space.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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