PuTe
PuTe is a thermodynamically stable, metallic compound composed of plutonium and tellurium.
About PuTe
PuTe is a binary actinide chalcogenide that exhibits metallic electronic behavior. As a thermodynamically stable phase, it occupies a significant position on the convex hull, indicating its robustness in solid-state chemistry. Its structural integrity is reflected in the extensive documentation across multiple materials databases, highlighting its importance in fundamental actinide research. The compound serves as a critical subject for understanding the bonding and electronic properties of heavy elements when paired with tellurium. Its metallic nature distinguishes it from many insulating or semiconducting chalcogenides, making it a valuable model for studying electron delocalization in transuranic systems.
Key Properties
Cross-validated computational properties for PuTe, aggregated across 5 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 PuTe. 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 PuTe, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -10.044 | 9.88 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0775 | -9.966 | 11.21 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 11.21 |
| Pm-3m (No. 221) | Cubic | — | — | — | 11.07 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 11.34 |
| Pm-3m (No. 221) | Cubic | — | — | — | 10.96 |
| Fm-3m (No. 225) | Cubic | — | — | — | 9.88 |
| Fm-3m (No. 225) | Cubic | — | — | — | 9.84 |
| Fm-3m (No. 225) | Cubic | — | — | — | 9.84 |
Applications
Where PuTe is used.
Frequently Asked Questions
Common questions about PuTe, answered from cross-validated data.
What is PuTe?
PuTe is a thermodynamically stable, metallic compound composed of plutonium and tellurium.
What is PuTe used for?
What is the band gap of PuTe?
Is PuTe a metal, semiconductor, or insulator?
Is PuTe thermodynamically stable?
What is the crystal structure of PuTe?
What is the density of PuTe?
How many polymorphs of PuTe are known?
What elements does PuTe contain?
Where does the data for PuTe come from?
How It Compares
As a stable metallic compound, PuTe represents a foundational example of plutonium-based chalcogenides. Within the broader context of actinide materials, it serves as a primary reference point for investigating the interplay between f-electron character and structural stability in binary systems.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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