F20Hf4Rb4
F20Hf4Rb4 is a thermodynamically stable, wide-band-gap insulating fluoride compound.
About F20Hf4Rb4
F20Hf4Rb4 is a complex fluoride compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull confirms its status as a thermodynamically stable material, making it a significant subject for structural analysis and materials science exploration.
This material is primarily studied for its unique structural properties and its role in the broader landscape of inorganic fluoride chemistry. Given its stability and electronic nature, it serves as an important reference point for researchers investigating insulating systems.
Key Properties
Cross-validated computational properties for F20Hf4Rb4, 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 F20Hf4Rb4, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 6.80 | 0.0000 | -6.824 | 5.80 |
| — | — | — | — | — | 5.51 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where F20Hf4Rb4 is used.
Frequently Asked Questions
Common questions about F20Hf4Rb4, answered from cross-validated data.
What is F20Hf4Rb4?
F20Hf4Rb4 is a thermodynamically stable, wide-band-gap insulating fluoride compound.
What is F20Hf4Rb4 used for?
What is the band gap of F20Hf4Rb4?
Is F20Hf4Rb4 a metal, semiconductor, or insulator?
Is F20Hf4Rb4 thermodynamically stable?
What is the crystal structure of F20Hf4Rb4?
What is the density of F20Hf4Rb4?
How many polymorphs of F20Hf4Rb4 are known?
What elements does F20Hf4Rb4 contain?
Where does the data for F20Hf4Rb4 come from?
How It Compares
As a thermodynamically stable fluoride, F20Hf4Rb4 represents a well-defined structural configuration within the field of complex inorganic insulators, serving as a primary example for researchers studying the stability of hafnium-based fluoride lattices.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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