Ta1Tc2V1
Ta1Tc2V1 is a metastable, semimetallic ternary compound composed of tantalum, technetium, and vanadium that demonstrates significant structural diversity.
About Ta1Tc2V1
Ta1Tc2V1 is a complex ternary compound composed of tantalum, technetium, and vanadium. As a semimetallic material with a near-zero electronic gap, it exhibits unique charge carrier dynamics that are of interest for fundamental solid-state physics research. The compound is notable for its high structural complexity, with numerous reported configurations within materials databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which presents significant challenges and opportunities for synthesis and stabilization in experimental settings.
Key Properties
Cross-validated computational properties for Ta1Tc2V1, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for Ta1Tc2V1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.06 | 4.3925 | -24.763 | 0.85 |
| P4mm (No. 99) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Ta1Tc2V1 is used.
Frequently Asked Questions
Common questions about Ta1Tc2V1, answered from cross-validated data.
What is Ta1Tc2V1?
Ta1Tc2V1 is a metastable, semimetallic ternary compound composed of tantalum, technetium, and vanadium that demonstrates significant structural diversity.
What is Ta1Tc2V1 used for?
What is the band gap of Ta1Tc2V1?
Is Ta1Tc2V1 a metal, semiconductor, or insulator?
Is Ta1Tc2V1 thermodynamically stable?
What is the crystal structure of Ta1Tc2V1?
What is the density of Ta1Tc2V1?
How many polymorphs of Ta1Tc2V1 are known?
What elements does Ta1Tc2V1 contain?
Where does the data for Ta1Tc2V1 come from?
How It Compares
As a unique ternary combination of transition metals, Ta1Tc2V1 occupies a specialized niche in materials science. Unlike more common binary alloys, this compound serves as a case study in the structural variability of multi-element systems, highlighting the intricate phase space accessible when balancing tantalum, technetium, and vanadium.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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