U2Zn17
U2Zn17 is a thermodynamically stable semimetallic uranium-zinc intermetallic compound.
About U2Zn17
U2Zn17 is a thermodynamically stable intermetallic compound composed of uranium and zinc. Its electronic character is defined as near-zero-gap, placing it in the category of semimetallic materials that exhibit complex interactions between localized and itinerant electrons.
This compound is notable for its structural diversity, supported by a significant body of research across multiple crystallographic databases. As a stable phase on the convex hull, it serves as a foundational material for investigating heavy-fermion behavior and the interplay of magnetism in actinide-based systems.
Key Properties
Cross-validated computational properties for U2Zn17, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of U2Zn17. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for U2Zn17, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.053 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -0.069 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -2.381 | 8.57 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -0.069 | — |
| — | — | 0.00 | 0.0003 | -0.052 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0024 | -2.378 | 8.98 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0450 | -2.336 | 8.88 |
| C2/m (No. 12) | monoclinic | 0.03 | 1.5755 | -0.805 | 0.73 |
| R-3m (No. 166) | trigonal | 0.00 | — | -1.455 | 8.88 |
| R-3m (No. 166) | trigonal | 0.00 | — | -1.455 | 8.88 |
| R-3m (No. 166) | trigonal | 0.00 | — | -1.455 | 8.88 |
| R-3m (No. 166) | trigonal | 0.00 | — | -1.455 | 8.88 |
Applications
Where U2Zn17 is used.
Frequently Asked Questions
Common questions about U2Zn17, answered from cross-validated data.
What is U2Zn17?
U2Zn17 is a thermodynamically stable semimetallic uranium-zinc intermetallic compound.
What is U2Zn17 used for?
What is the band gap of U2Zn17?
Is U2Zn17 a metal, semiconductor, or insulator?
Is U2Zn17 thermodynamically stable?
What is the crystal structure of U2Zn17?
How many polymorphs of U2Zn17 are known?
What elements does U2Zn17 contain?
Where does the data for U2Zn17 come from?
How It Compares
As a distinct uranium-zinc intermetallic, U2Zn17 represents an important phase in the study of actinide-based semimetals, providing a stable structural benchmark for understanding how uranium-rich compounds maintain thermodynamic integrity in complex electronic environments.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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