Cu8I12Rb4
This compound is a complex inorganic salt consisting of copper, iodine, and rubidium. It is primarily studied in materials science research for its unique structural properties and potential behavior as a solid-state ionic conductor.
CuIRb
Overview
Key Properties
Cross-validated computational properties for Cu8I12Rb4, 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.
0.85–2.07 eV
Range across DFT structures
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.
0.002 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu8I12Rb4, 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 | 2.07 | 0.0016 | -3.085 | 4.67 |
| Cmcm (No. 63) | orthorhombic | 1.99 | 0.0062 | -3.080 | 4.76 |
| Cmcm (No. 63) | orthorhombic | 0.85 | 1.9059 | -1.180 | 0.10 |
| — | — | — | — | — | 4.56 |
| Cmcm (No. 63) | — | — | — | — | — |
Uses
Applications
Where Cu8I12Rb4 is used.
Solid-state electrolyte researchMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about Cu8I12Rb4, answered from cross-validated data.
What is Cu8I12Rb4?
This compound is a complex inorganic salt consisting of copper, iodine, and rubidium. It is primarily studied in materials science research for its unique structural properties and potential behavior as a solid-state ionic conductor.
More questions
What is Cu8I12Rb4 used for?
Cu8I12Rb4 is used in solid-state electrolyte research and materials science experimentation.
What is the band gap of Cu8I12Rb4?
Cu8I12Rb4 has a DFT-computed band gap of 0.85–2.07 eV across 5 reported structures.
Is Cu8I12Rb4 a metal, semiconductor, or insulator?
With a band gap up to 2.07 eV it is a semiconductor.
Is Cu8I12Rb4 thermodynamically stable?
Cu8I12Rb4 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of Cu8I12Rb4?
The lowest-energy reported polymorph of Cu8I12Rb4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Cu8I12Rb4?
The computed density of the ground-state structure of Cu8I12Rb4 is 4.67 g/cm³.
How many polymorphs of Cu8I12Rb4 are known?
5 structures of Cu8I12Rb4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cu8I12Rb4 contain?
Cu8I12Rb4 contains Cu, I, and Rb (3 elements).
Where does the data for Cu8I12Rb4 come from?
Cu8I12Rb4 data is cross-referenced from materials_project, omat24, aflow.
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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