TaTc
TaTc is a thermodynamically stable metallic compound composed of tantalum and technetium.
About TaTc
TaTc is a binary metallic compound that occupies a position of thermodynamic stability on the convex hull. Its metallic electronic character suggests high conductivity, making it a subject of interest for fundamental studies in transition metal alloys.
With a significant number of reported structures across multiple databases, this compound is a well-documented phase. Its stability indicates a robust atomic arrangement that persists under standard conditions, providing a reliable baseline for researchers investigating tantalum-technetium systems.
Key Properties
Cross-validated computational properties for TaTc, aggregated across 6 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 TaTc. 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 TaTc, 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 | -37.846 | 14.47 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.498 | — |
| — | — | 0.00 | 0.0000 | -0.501 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0130 | -0.485 | — |
| — | — | 0.00 | 0.0169 | -0.484 | — |
| — | — | 0.00 | 0.4859 | -0.015 | — |
| — | — | 0.00 | 0.5312 | 0.030 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.6159 | 0.118 | — |
| — | — | 0.00 | 0.6354 | 0.134 | — |
| — | — | 0.00 | 0.8685 | 0.367 | — |
| — | — | 0.00 | 1.1810 | 0.680 | — |
| — | — | 0.00 | 2.2531 | 1.752 | — |
Applications
Where TaTc is used.
Frequently Asked Questions
Common questions about TaTc, answered from cross-validated data.
What is TaTc?
TaTc is a thermodynamically stable metallic compound composed of tantalum and technetium.
What is TaTc used for?
What is the band gap of TaTc?
Is TaTc a metal, semiconductor, or insulator?
Is TaTc thermodynamically stable?
What is the crystal structure of TaTc?
What is the density of TaTc?
How many polymorphs of TaTc are known?
What elements does TaTc contain?
Where does the data for TaTc come from?
How It Compares
As a thermodynamically stable metallic phase, TaTc represents a well-defined point in the binary phase space of its constituent elements. Without other specific siblings in this class for direct comparison, it serves as a primary reference point for understanding the structural diversity and bonding behavior within this specific transition metal combination.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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