Nb4O20Ti2U2
Nb4O20Ti2U2 is a complex semiconducting quaternary oxide containing niobium, titanium, and uranium that is theoretically predicted to be synthesizable.
About Nb4O20Ti2U2
Nb4O20Ti2U2 is a complex quaternary oxide composed of niobium, titanium, uranium, and oxygen. As a semiconducting material, it represents a unique intersection of transition metal and actinide chemistry, offering intriguing electronic properties that are of interest for fundamental materials research.
Due to its position near the thermodynamic stability hull, this compound is considered a promising candidate for experimental synthesis. Its structural complexity and electronic character make it a subject of interest for exploring new functional oxide phases in advanced materials science.
Key Properties
Cross-validated computational properties for Nb4O20Ti2U2, 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 Nb4O20Ti2U2, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 1.95 | 0.0152 | -9.633 | 5.27 |
| Fddd (No. 70) | — | — | — | — | — |
| Fddd (No. 70) | — | — | — | — | — |
Applications
Where Nb4O20Ti2U2 is used.
Frequently Asked Questions
Common questions about Nb4O20Ti2U2, answered from cross-validated data.
What is Nb4O20Ti2U2?
Nb4O20Ti2U2 is a complex semiconducting quaternary oxide containing niobium, titanium, and uranium that is theoretically predicted to be synthesizable.
What is Nb4O20Ti2U2 used for?
What is the band gap of Nb4O20Ti2U2?
Is Nb4O20Ti2U2 a metal, semiconductor, or insulator?
Is Nb4O20Ti2U2 thermodynamically stable?
What is the crystal structure of Nb4O20Ti2U2?
What is the density of Nb4O20Ti2U2?
How many polymorphs of Nb4O20Ti2U2 are known?
What elements does Nb4O20Ti2U2 contain?
Where does the data for Nb4O20Ti2U2 come from?
How It Compares
As a quaternary oxide containing multiple high-valence cations, this compound occupies a specialized niche in materials science where the interplay between niobium, titanium, and uranium dictates its electronic behavior. Unlike simpler binary or ternary oxides, its structural complexity allows for a unique electronic landscape that distinguishes it from more common, simpler dielectric or semiconducting oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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