C12Na16O44U4
C12Na16O44U4 is a thermodynamically stable semiconducting compound containing uranium, sodium, carbon, and oxygen.
About C12Na16O44U4
C12Na16O44U4 is a complex uranium-bearing compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits notable thermodynamic stability, making it a significant subject for structural analysis within its chemical system.
Given its unique composition, this compound is primarily of interest in fundamental materials research. Its stability and electronic properties provide a platform for investigating the behavior of uranium in multi-element oxide environments.
Key Properties
Cross-validated computational properties for C12Na16O44U4, 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 C12Na16O44U4, 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. |
|---|---|---|---|---|---|
| P-3c1 (No. 165) | trigonal | 2.16 | 0.0000 | -7.618 | 3.81 |
| Cc (No. 9) | monoclinic | 2.25 | 0.0003 | -7.618 | 3.87 |
| P-1 (No. 2) | triclinic | 2.13 | 0.0005 | -7.618 | 3.53 |
| No. 0 | unknown | — | — | — | 0.93 |
| — | — | — | — | — | 3.54 |
Applications
Where C12Na16O44U4 is used.
Frequently Asked Questions
Common questions about C12Na16O44U4, answered from cross-validated data.
What is C12Na16O44U4?
C12Na16O44U4 is a thermodynamically stable semiconducting compound containing uranium, sodium, carbon, and oxygen.
What is C12Na16O44U4 used for?
What is the band gap of C12Na16O44U4?
Is C12Na16O44U4 a metal, semiconductor, or insulator?
Is C12Na16O44U4 thermodynamically stable?
What is the crystal structure of C12Na16O44U4?
What is the density of C12Na16O44U4?
How many polymorphs of C12Na16O44U4 are known?
What elements does C12Na16O44U4 contain?
Where does the data for C12Na16O44U4 come from?
How It Compares
As a specialized uranium-containing compound, C12Na16O44U4 represents a distinct structural configuration within its chemical space. It serves as a reference point for understanding the stability and electronic trends of similar complex uranium-based oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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