Li4UO5
Li4UO5 is a thermodynamically stable, semiconducting lithium uranium oxide used primarily in advanced materials research.
About Li4UO5
Li4UO5 is a semiconducting lithium oxide that occupies a stable position on the convex hull, indicating robust thermodynamic favorability. Its composition highlights the versatility of lithium-based oxide systems in accommodating heavy actinide elements within a well-defined crystalline framework. As a member of the diverse lithium oxide family, this compound is of significant interest for fundamental studies into the electronic behavior of uranium-bearing ceramics. Its structural stability makes it a relevant subject for understanding complex oxide phase diagrams and potential applications in specialized nuclear or electronic material systems.
Key Properties
Cross-validated computational properties for Li4UO5, 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 Li4UO5, 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. |
|---|---|---|---|---|---|
| I4/m (No. 87) | tetragonal | 1.73 | 0.0000 | -7.261 | 5.83 |
| I4/m (No. 87) | Tetragonal | — | — | — | 5.59 |
| I4/m (No. 87) | Tetragonal | — | — | — | 5.84 |
| I4/m (No. 87) | Tetragonal | — | — | — | 5.72 |
| I4/m (No. 87) | — | — | — | — | — |
| I4/m (No. 87) | — | — | — | — | — |
Applications
Where Li4UO5 is used.
Frequently Asked Questions
Common questions about Li4UO5, answered from cross-validated data.
What is Li4UO5?
Li4UO5 is a thermodynamically stable, semiconducting lithium uranium oxide used primarily in advanced materials research.
What is Li4UO5 used for?
What is the band gap of Li4UO5?
Is Li4UO5 a metal, semiconductor, or insulator?
Is Li4UO5 thermodynamically stable?
What is the crystal structure of Li4UO5?
What is the density of Li4UO5?
How many polymorphs of Li4UO5 are known?
What elements does Li4UO5 contain?
Where does the data for Li4UO5 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials LiCoO2, LiNiO2, and LiMn2O4, which are characterized by their high-capacity electrochemical activity, Li4UO5 serves a more specialized role in the lithium oxide class. While compounds like Li2O act as fundamental building blocks or electrolytes, Li4UO5 represents a more complex structural derivative that integrates uranium, moving away from the transition-metal-centric focus seen in common battery materials like Li2MnO3 or LiV3O8.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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