Cl20Pr4Rb8
Cl20Pr4Rb8 is a stable, insulating compound containing chlorine, praseodymium, and rubidium used in materials science research.
About Cl20Pr4Rb8
Cl20Pr4Rb8 is a complex inorganic compound composed of chlorine, praseodymium, and rubidium. As a wide-band-gap insulator, it exhibits distinct electronic characteristics that make it a subject of interest for fundamental materials science research. Its position on the convex hull indicates that it is a thermodynamically stable phase under standard conditions. The compound has been identified across multiple structural databases, reflecting its significance in systematic crystallographic studies. Its unique composition allows for specialized investigation into the interactions between rare-earth elements and alkali metal halides. This material serves as a valuable case study for researchers exploring the synthesis and stability of multi-component halide systems.
Key Properties
Cross-validated computational properties for Cl20Pr4Rb8, 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 Cl20Pr4Rb8, 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 | 4.87 | 0.0000 | -4.554 | 3.33 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 3.34 |
Applications
Where Cl20Pr4Rb8 is used.
Frequently Asked Questions
Common questions about Cl20Pr4Rb8, answered from cross-validated data.
What is Cl20Pr4Rb8?
Cl20Pr4Rb8 is a stable, insulating compound containing chlorine, praseodymium, and rubidium used in materials science research.
What is Cl20Pr4Rb8 used for?
What is the band gap of Cl20Pr4Rb8?
Is Cl20Pr4Rb8 a metal, semiconductor, or insulator?
Is Cl20Pr4Rb8 thermodynamically stable?
What is the crystal structure of Cl20Pr4Rb8?
What is the density of Cl20Pr4Rb8?
How many polymorphs of Cl20Pr4Rb8 are known?
What elements does Cl20Pr4Rb8 contain?
Where does the data for Cl20Pr4Rb8 come from?
How It Compares
As a unique multi-component halide, Cl20Pr4Rb8 represents a specialized structural configuration within the broader landscape of rare-earth rubidium chlorides. It stands out for its thermodynamic stability, serving as a benchmark for researchers studying the complex phase space of ternary halide compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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