O20Te4U4
O20Te4U4 is a thermodynamically stable semiconducting compound containing oxygen, tellurium, and uranium.
About O20Te4U4
O20Te4U4 is a complex inorganic compound composed of oxygen, tellurium, and uranium. It is recognized for its thermodynamic stability, sitting directly on the convex hull, which indicates a robust structural arrangement under standard conditions.
As a semiconducting material, this compound offers unique electronic properties that distinguish it from simple oxides. Its existence across multiple reported structures highlights its significance in solid-state chemistry and its potential utility in specialized electronic or optical applications.
Key Properties
Cross-validated computational properties for O20Te4U4, 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 O20Te4U4, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 1.84 | 0.0005 | -8.301 | 6.99 |
| Pca21 (No. 29) | orthorhombic | 1.84 | 0.0009 | -8.300 | 6.50 |
| Pca21 (No. 29) | — | — | — | — | — |
| Pca21 (No. 29) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.73 |
| Pbcm (No. 57) | — | — | — | — | — |
Applications
Where O20Te4U4 is used.
Frequently Asked Questions
Common questions about O20Te4U4, answered from cross-validated data.
What is O20Te4U4?
O20Te4U4 is a thermodynamically stable semiconducting compound containing oxygen, tellurium, and uranium.
What is O20Te4U4 used for?
What is the band gap of O20Te4U4?
Is O20Te4U4 a metal, semiconductor, or insulator?
Is O20Te4U4 thermodynamically stable?
What is the crystal structure of O20Te4U4?
What is the density of O20Te4U4?
How many polymorphs of O20Te4U4 are known?
What elements does O20Te4U4 contain?
Where does the data for O20Te4U4 come from?
How It Compares
As a unique member of the tellurate-uranate family, O20Te4U4 represents a stable crystalline phase that serves as a baseline for understanding complex uranium-based semiconductors. Its position on the convex hull makes it a reliable subject for further investigation into the electronic behavior of actinide-containing chalcogenide oxides.
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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