HfTe3
Hafnium tritelluride is a transition metal trichalcogenide known for its layered crystal structure. It is primarily studied in the field of condensed matter physics for its potential in electronic and optoelectronic device research.
HfTe
Overview
Key Properties
Cross-validated computational properties for HfTe3, 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.
Metallic / not reported
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.
0.040 eV/atom
Best (lowest) across sources
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.
Metastable
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
47
5 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HfTe3, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.00 | 0.0396 | -31.066 | 7.62 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.45 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 12.38 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.76 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.25 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 8.80 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.63 |
| C2 (No. 5) | Monoclinic | — | — | — | 8.57 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.75 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.27 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.07 |
Uses
Applications
Where HfTe3 is used.
Semiconductor researchNanoscale electronic device developmentCondensed matter physics studies
Reference
Frequently Asked Questions
Common questions about HfTe3, answered from cross-validated data.
What is HfTe3?
Hafnium tritelluride is a transition metal trichalcogenide known for its layered crystal structure. It is primarily studied in the field of condensed matter physics for its potential in electronic and optoelectronic device research.
More questions
What is HfTe3 used for?
HfTe3 is used in semiconductor research, nanoscale electronic device development, and condensed matter physics studies.
What is the band gap of HfTe3?
HfTe3 is computed to be metallic (no band gap) in the reported DFT structures.
Is HfTe3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HfTe3 thermodynamically stable?
HfTe3 has a lowest energy above hull of 0.040 eV/atom (metastable).
What is the crystal structure of HfTe3?
The lowest-energy reported polymorph of HfTe3 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of HfTe3?
The computed density of the ground-state structure of HfTe3 is 7.62 g/cm³.
How many polymorphs of HfTe3 are known?
47 structures of HfTe3 are reported across 5 databases, spanning 12 distinct space groups.
What elements does HfTe3 contain?
HfTe3 contains Hf and Te (2 elements).
Where does the data for HfTe3 come from?
HfTe3 data is cross-referenced from materials_project, mpaloe, jarvis, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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