LuTe
LuTe is a thermodynamically stable metallic compound consisting of lutetium and tellurium.
About LuTe
LuTe is a metallic compound formed from the rare-earth element lutetium and the chalcogen tellurium. As a thermodynamically stable phase located on the convex hull, it represents a robust chemical configuration that maintains structural integrity under standard conditions.
The compound is characterized by its metallic electronic nature, which distinguishes it from insulating or semiconducting rare-earth chalcogenides. Its high degree of structural variety, evidenced by numerous reported configurations across major databases, makes it a subject of interest for fundamental studies in solid-state chemistry and materials science.
Key Properties
Cross-validated computational properties for LuTe, 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 LuTe. 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 LuTe, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0000 | -1.149 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0000 | -5.173 | 9.11 |
| — | — | 0.00 | 0.0000 | -1.129 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0286 | -1.120 | — |
| — | — | 0.00 | 0.0432 | -1.086 | — |
| — | — | 0.00 | 0.0439 | -1.085 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0605 | -5.112 | 9.24 |
| — | — | 0.00 | 0.1385 | -0.990 | — |
| — | — | 0.00 | 0.1386 | -0.990 | — |
| — | — | 0.00 | 0.4187 | -0.710 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 6.90 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.17 |
Applications
Where LuTe is used.
Frequently Asked Questions
Common questions about LuTe, answered from cross-validated data.
What is LuTe?
LuTe is a thermodynamically stable metallic compound consisting of lutetium and tellurium.
What is LuTe used for?
What is the band gap of LuTe?
Is LuTe a metal, semiconductor, or insulator?
Is LuTe thermodynamically stable?
What is the crystal structure of LuTe?
How many polymorphs of LuTe are known?
What elements does LuTe contain?
Where does the data for LuTe come from?
How It Compares
As a stable metallic rare-earth telluride, LuTe serves as a foundational example of binary chalcogenide behavior. Unlike more complex or unstable phases in this chemical family, its position on the convex hull indicates a highly favorable energetic state that facilitates its existence across a wide range of structural arrangements.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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