C2H6O12U2

C2H6O12U2 is a metastable, semiconducting uranium-based compound used in fundamental research into actinide chemistry.

CHOU
Crystal structure of C2H6O12U2 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About C2H6O12U2

C2H6O12U2 is a complex uranium-based compound characterized by its semiconducting electronic nature. As a metastable material, it represents a unique configuration of uranium, carbon, hydrogen, and oxygen atoms that offers researchers a specialized platform for studying actinide chemistry and coordination environments. Its existence across multiple structural databases highlights its significance in fundamental materials science investigations. The material serves as an important subject for understanding the bonding and stability of uranium complexes in non-standard chemical environments. Its semiconducting behavior suggests potential interest in specialized electronic or sensing applications where actinide-based materials are required to modulate charge transport.

At a glance

Key Properties

Cross-validated computational properties for C2H6O12U2, aggregated across 3 databases.

Band Gap

2.13 eV
Range across DFT structures

Energy Above Hull

0.044 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for C2H6O12U2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic2.130.0437-7.6494.20
P-1 (No. 2)
4.93
Uses

Applications

Where C2H6O12U2 is used.

Actinide chemistry researchFundamental materials science studiesCoordination chemistry exploration
Reference

Frequently Asked Questions

Common questions about C2H6O12U2, answered from cross-validated data.

What is C2H6O12U2?

C2H6O12U2 is a metastable, semiconducting uranium-based compound used in fundamental research into actinide chemistry.

More questions
What is C2H6O12U2 used for?
C2H6O12U2 is used in actinide chemistry research, fundamental materials science studies, and coordination chemistry exploration.
What is the band gap of C2H6O12U2?
C2H6O12U2 has a DFT-computed band gap of 2.13 eV across 3 reported structures.
Is C2H6O12U2 a metal, semiconductor, or insulator?
With a band gap up to 2.13 eV it is a semiconductor.
Is C2H6O12U2 thermodynamically stable?
C2H6O12U2 has a lowest energy above hull of 0.044 eV/atom (metastable).
What is the crystal structure of C2H6O12U2?
The lowest-energy reported polymorph of C2H6O12U2 is triclinic symmetry, space group P-1 (No. 2).
What is the density of C2H6O12U2?
The computed density of the ground-state structure of C2H6O12U2 is 4.20 g/cm³.
How many polymorphs of C2H6O12U2 are known?
3 structures of C2H6O12U2 are reported across 3 databases, spanning 1 distinct space group.
What elements does C2H6O12U2 contain?
C2H6O12U2 contains C, H, O, and U (4 elements).
Where does the data for C2H6O12U2 come from?
C2H6O12U2 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique uranium-based complex, C2H6O12U2 occupies a specialized niche in materials science, serving as a distinct example of how actinide elements can be integrated into complex organic-inorganic frameworks.

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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