Cl6ErRb3
Cl6ErRb3 is a thermodynamically stable, wide-band-gap insulating compound composed of erbium, rubidium, and chlorine.
About Cl6ErRb3
Cl6ErRb3 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of erbium, rubidium, and chlorine atoms. Its stability makes it a subject of interest for researchers investigating halide-based materials with specific electronic properties. The compound is documented across multiple structural databases, reflecting its significance in systematic material characterization efforts. Its insulating behavior and chemical composition suggest potential utility in specialized optical or electronic applications where stable, wide-gap materials are required for performance.
Key Properties
Cross-validated computational properties for Cl6ErRb3, 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 Cl6ErRb3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 4.99 | 0.0000 | -4.366 | 3.31 |
| Fm-3m (No. 225) | cubic | 4.70 | 0.0536 | -4.313 | 2.81 |
| — | — | — | — | — | 2.89 |
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Applications
Where Cl6ErRb3 is used.
Frequently Asked Questions
Common questions about Cl6ErRb3, answered from cross-validated data.
What is Cl6ErRb3?
Cl6ErRb3 is a thermodynamically stable, wide-band-gap insulating compound composed of erbium, rubidium, and chlorine.
What is Cl6ErRb3 used for?
What is the band gap of Cl6ErRb3?
Is Cl6ErRb3 a metal, semiconductor, or insulator?
Is Cl6ErRb3 thermodynamically stable?
What is the crystal structure of Cl6ErRb3?
What is the density of Cl6ErRb3?
How many polymorphs of Cl6ErRb3 are known?
What elements does Cl6ErRb3 contain?
Where does the data for Cl6ErRb3 come from?
How It Compares
As a distinct inorganic halide, Cl6ErRb3 occupies a unique position in materials research due to its verified thermodynamic stability. While it functions as an isolated structural entry in this context, it serves as a representative example of how rare-earth elements can be integrated into stable, insulating halide frameworks to achieve specific electronic configurations.
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).
- alexandria — Data from alexandria.
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