CoTc
CoTc is a metallic intermetallic compound formed from cobalt and technetium that exists in a metastable state.
About CoTc
CoTc is an intermetallic compound composed of cobalt and technetium. As a metallic phase, it exhibits the characteristic electronic behavior associated with transition metal alloys, though it is categorized as a metastable structure that sits above the thermodynamic hull.
Despite its instability under standard conditions, this compound remains a subject of interest in materials informatics due to the significant number of reported structural configurations. Its existence in multiple databases highlights its role in exploring the complex phase space of binary transition metal systems.
Key Properties
Cross-validated computational properties for CoTc, 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 CoTc. 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 CoTc, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.053 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0967 | 0.045 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1046 | 0.053 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1337 | -19.471 | 10.30 |
| — | — | 0.00 | 0.1359 | 0.083 | — |
| — | — | 0.00 | 0.1894 | 0.137 | — |
| — | — | 0.00 | 0.2070 | 0.154 | — |
| — | — | 0.00 | 0.3320 | 0.279 | — |
| — | — | 0.00 | 1.0306 | 0.978 | — |
| — | — | 0.00 | 1.1584 | 1.106 | — |
| — | — | 0.00 | 1.3214 | 1.269 | — |
| C2 (No. 5) | monoclinic | — | — | — | 10.08 |
Applications
Where CoTc is used.
Frequently Asked Questions
Common questions about CoTc, answered from cross-validated data.
What is CoTc?
CoTc is a metallic intermetallic compound formed from cobalt and technetium that exists in a metastable state.
What is CoTc used for?
What is the band gap of CoTc?
Is CoTc a metal, semiconductor, or insulator?
Is CoTc thermodynamically stable?
How many polymorphs of CoTc are known?
What elements does CoTc contain?
Where does the data for CoTc come from?
How It Compares
As a binary intermetallic, CoTc serves as a specific case study in the alloying behavior of transition metals. Without established stable siblings in this specific binary system, it functions as a representative example of the structural diversity found in complex metallic phases that deviate from the ground state.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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