HfTe2
Hafnium ditelluride · Hafnium(IV) telluride
Hafnium ditelluride is a thermodynamically stable metallic compound used as a foundational material in materials science research.
About Hafnium ditelluride
Hafnium ditelluride is a metallic compound composed of hafnium and tellurium. As a thermodynamically stable material located on the convex hull, it serves as a robust candidate for fundamental studies in condensed matter physics and materials science. Its structural integrity makes it a significant subject for researchers investigating metallic transition metal dichalcogenides. The compound is characterized by its high structural versatility, evidenced by the extensive number of reported configurations across various databases. This data richness underscores its importance as a model system for exploring electronic properties and phase behavior in layered inorganic materials.
Key Properties
Cross-validated computational properties for Hafnium ditelluride, 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 HfTe2. 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 HfTe2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -0.848 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0000 | -32.988 | 7.42 |
| — | — | 0.00 | 0.0000 | -0.827 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0049 | -0.843 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0049 | -0.843 | — |
| — | — | 0.00 | 0.1297 | -0.697 | — |
| — | — | 0.00 | 0.1582 | -0.669 | — |
| — | — | 0.00 | 0.3060 | -0.521 | — |
| — | — | 0.00 | 0.3963 | -0.431 | — |
| — | — | 1.06 | 0.4926 | -0.334 | — |
| — | — | 0.00 | 1.6188 | 0.792 | — |
| P-1 (No. 2) | triclinic | — | — | — | 6.11 |
Applications
Where Hafnium ditelluride is used.
Frequently Asked Questions
Common questions about Hafnium ditelluride, answered from cross-validated data.
What is HfTe2?
Hafnium ditelluride is a thermodynamically stable metallic compound used as a foundational material in materials science research.
What is HfTe2 used for?
What is the band gap of HfTe2?
Is HfTe2 a metal, semiconductor, or insulator?
Is HfTe2 thermodynamically stable?
What is the crystal structure of HfTe2?
What is the density of HfTe2?
How many polymorphs of HfTe2 are known?
What elements does HfTe2 contain?
Where does the data for HfTe2 come from?
How It Compares
As a standalone representative of its structural class, hafnium ditelluride serves as a primary benchmark for metallic behavior in transition metal tellurides. Its thermodynamic stability distinguishes it as a reliable platform for experimental and theoretical investigations into the properties of hafnium-based chalcogenides.
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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