HfTc
HfTc is a thermodynamically stable, metallic binary compound formed from hafnium and technetium.
About HfTc
HfTc is a binary metallic compound composed of hafnium and technetium. As a material that sits directly on the convex hull, it exhibits notable thermodynamic stability, making it a significant subject for structural analysis within its chemical system.
Its metallic nature suggests high electrical conductivity, which is a hallmark of this class of transition metal intermetallics. With extensive structural data available across multiple databases, it remains a well-documented candidate for researchers investigating the interplay between refractory metals and radioactive elements.
Key Properties
Cross-validated computational properties for HfTc, 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 HfTc. 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 HfTc, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.491 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -36.086 | 13.41 |
| — | — | 0.00 | 0.0004 | -0.482 | — |
| — | — | 0.00 | 0.0108 | -0.472 | — |
| — | — | 0.00 | 0.4012 | -0.081 | — |
| — | — | 0.00 | 0.4177 | -0.065 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.4540 | -0.037 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.4621 | -0.029 | — |
| — | — | 0.00 | 0.4876 | 0.005 | — |
| — | — | 0.00 | 0.5549 | 0.072 | — |
| — | — | 0.00 | 1.0124 | 0.530 | — |
| — | — | 0.00 | 2.2136 | 1.731 | — |
Applications
Where HfTc is used.
Frequently Asked Questions
Common questions about HfTc, answered from cross-validated data.
What is HfTc?
HfTc is a thermodynamically stable, metallic binary compound formed from hafnium and technetium.
What is HfTc used for?
What is the band gap of HfTc?
Is HfTc a metal, semiconductor, or insulator?
Is HfTc thermodynamically stable?
What is the crystal structure of HfTc?
How many polymorphs of HfTc are known?
What elements does HfTc contain?
Where does the data for HfTc come from?
How It Compares
As a distinct binary phase, HfTc represents a stable configuration within the hafnium-technetium system. Unlike more complex or metastable alloys that often require specific synthesis conditions, this compound maintains a robust structural identity that serves as a benchmark for understanding the bonding characteristics of these specific transition metal combinations.
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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