C4H4O8Rb4

C4H4O8Rb4 is a metastable, insulating organic-inorganic compound used primarily in structural research and materials science investigations.

CHORb
Crystal structure of C4H4O8Rb4 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About C4H4O8Rb4

C4H4O8Rb4 is a complex organic-inorganic hybrid compound characterized by its insulating electronic nature. As a metastable material, it represents a unique structural configuration that is of interest for fundamental studies in solid-state chemistry and crystal engineering.

Its wide-band-gap profile suggests potential utility in specialized dielectric applications or as a precursor in chemical synthesis. While it remains a niche material, its existence within structural databases provides valuable insights into the coordination chemistry of rubidium-based organic frameworks.

At a glance

Key Properties

Cross-validated computational properties for C4H4O8Rb4, aggregated across 3 databases.

Band Gap

3.10–4.44 eV
Range across DFT structures

Energy Above Hull

0.026 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

4
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for C4H4O8Rb4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic3.100.0256-7.0193.06
Pbcm (No. 57)orthorhombic4.440.0795-6.2632.60
Pbcm (No. 57)
No. 0unknown0.65
Uses

Applications

Where C4H4O8Rb4 is used.

Fundamental solid-state researchCrystal engineeringChemical synthesis precursor
Reference

Frequently Asked Questions

Common questions about C4H4O8Rb4, answered from cross-validated data.

What is C4H4O8Rb4?

C4H4O8Rb4 is a metastable, insulating organic-inorganic compound used primarily in structural research and materials science investigations.

More questions
What is C4H4O8Rb4 used for?
C4H4O8Rb4 is used in fundamental solid-state research, crystal engineering, and chemical synthesis precursor.
What is the band gap of C4H4O8Rb4?
C4H4O8Rb4 has a DFT-computed band gap of 3.10–4.44 eV across 4 reported structures.
Is C4H4O8Rb4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.44 eV it is an insulator / wide-band-gap material.
Is C4H4O8Rb4 thermodynamically stable?
C4H4O8Rb4 has a lowest energy above hull of 0.026 eV/atom (metastable).
What is the crystal structure of C4H4O8Rb4?
The lowest-energy reported polymorph of C4H4O8Rb4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of C4H4O8Rb4?
The computed density of the ground-state structure of C4H4O8Rb4 is 3.06 g/cm³.
How many polymorphs of C4H4O8Rb4 are known?
4 structures of C4H4O8Rb4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does C4H4O8Rb4 contain?
C4H4O8Rb4 contains C, H, O, and Rb (4 elements).
Where does the data for C4H4O8Rb4 come from?
C4H4O8Rb4 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a unique entry in its structural category, C4H4O8Rb4 serves as a distinct example of how rubidium ions can stabilize complex organic anions. Unlike more common, highly stable inorganic salts, this compound occupies a specific metastable region that highlights the diversity of possible configurations in carbon-based rubidium systems.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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