HfTl
This is a binary intermetallic compound composed of hafnium and thallium. It is primarily studied in the context of materials science research regarding its structural properties and phase behavior.
HfTl
Overview
Key Properties
Cross-validated computational properties for HfTl, aggregated across 4 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.
0.135 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.
Above hull
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
56
4 databases, 11 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HfTl, 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 | 0.1349 | -49.054 | 13.54 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.91 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 9.28 |
| P-1 (No. 2) | Triclinic | — | — | — | 12.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 12.05 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.86 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 13.54 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 14.18 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 13.90 |
| P1 (No. 1) | Triclinic | — | — | — | 12.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 15.84 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.66 |
Uses
Applications
Where HfTl is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about HfTl, answered from cross-validated data.
What is HfTl?
This is a binary intermetallic compound composed of hafnium and thallium. It is primarily studied in the context of materials science research regarding its structural properties and phase behavior.
More questions
What is HfTl used for?
HfTl is used in materials science research and solid-state physics studies.
What is the band gap of HfTl?
HfTl is computed to be metallic (no band gap) in the reported DFT structures.
Is HfTl a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HfTl thermodynamically stable?
HfTl has a lowest energy above hull of 0.135 eV/atom (above hull).
What is the crystal structure of HfTl?
The lowest-energy reported polymorph of HfTl is hexagonal symmetry, space group P-6m2 (No. 187).
What is the density of HfTl?
The computed density of the ground-state structure of HfTl is 13.54 g/cm³.
How many polymorphs of HfTl are known?
56 structures of HfTl are reported across 4 databases, spanning 11 distinct space groups.
What elements does HfTl contain?
HfTl contains Hf and Tl (2 elements).
Where does the data for HfTl come from?
HfTl data is cross-referenced from materials_project, mpaloe, jarvis, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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