Cl2O4Rb2
Cl2O4Rb2 is a metastable, semiconducting inorganic compound containing rubidium, chlorine, and oxygen.
About Cl2O4Rb2
Cl2O4Rb2 is a complex inorganic compound composed of rubidium, chlorine, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple ionic salts, positioning it as a subject of interest for fundamental solid-state research. The compound is characterized by a thermodynamic profile that places it above the hull, suggesting it is a metastable phase. Its existence across multiple structural databases highlights its role in the study of complex oxyanion chemistry and potential synthetic pathways.
Key Properties
Cross-validated computational properties for Cl2O4Rb2, 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 Cl2O4Rb2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.41 | 0.3453 | -4.218 | 2.93 |
| — | — | — | — | — | 3.06 |
| Cmcm (No. 63) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cl2O4Rb2, answered from cross-validated data.
What is Cl2O4Rb2?
Cl2O4Rb2 is a metastable, semiconducting inorganic compound containing rubidium, chlorine, and oxygen.
What is the band gap of Cl2O4Rb2?
Is Cl2O4Rb2 a metal, semiconductor, or insulator?
Is Cl2O4Rb2 thermodynamically stable?
What is the crystal structure of Cl2O4Rb2?
What is the density of Cl2O4Rb2?
How many polymorphs of Cl2O4Rb2 are known?
What elements does Cl2O4Rb2 contain?
Where does the data for Cl2O4Rb2 come from?
How It Compares
As a unique inorganic phase, Cl2O4Rb2 represents a specialized structural arrangement within the broader landscape of rubidium-based oxychlorides. Without direct structural siblings, its role is defined by its distinct semiconducting nature and its status as a metastable compound, serving as a reference point for understanding the limits of stability in similar alkali metal halogen-oxygen systems.
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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