UCO5
This compound is an inorganic chemical substance containing uranium, carbon, and oxygen. It is primarily studied in the context of nuclear materials science and actinide chemistry research.
COU
Overview
Key Properties
Cross-validated computational properties for UCO5, 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.
2.29 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for UCO5, 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. |
|---|---|---|---|---|---|
| Imm2 (No. 44) | orthorhombic | 2.29 | 0.0005 | -9.288 | 5.78 |
| Pmmn (No. 59) | orthorhombic | 2.26 | 0.0007 | -9.287 | 5.77 |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.33 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.64 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.66 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.40 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.35 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.42 |
Uses
Applications
Where UCO5 is used.
Nuclear materials researchActinide chemical studies
Reference
Frequently Asked Questions
Common questions about UCO5, answered from cross-validated data.
What is UCO5?
This compound is an inorganic chemical substance containing uranium, carbon, and oxygen. It is primarily studied in the context of nuclear materials science and actinide chemistry research.
More questions
What is UCO5 used for?
UCO5 is used in nuclear materials research and actinide chemical studies.
What is the band gap of UCO5?
UCO5 has a DFT-computed band gap of 2.29 eV across 9 reported structures.
Is UCO5 a metal, semiconductor, or insulator?
With a band gap up to 2.29 eV it is a semiconductor.
Is UCO5 thermodynamically stable?
Yes — UCO5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of UCO5?
The lowest-energy reported polymorph of UCO5 is orthorhombic symmetry, space group Imm2 (No. 44).
What is the density of UCO5?
The computed density of the ground-state structure of UCO5 is 5.78 g/cm³.
How many polymorphs of UCO5 are known?
9 structures of UCO5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does UCO5 contain?
UCO5 contains C, O, and U (3 elements).
Where does the data for UCO5 come from?
UCO5 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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