Ge1Ta1Tc2
Ge1Ta1Tc2 is a semiconducting ternary compound that is theoretically stable enough to be a target for laboratory synthesis.
About Ge1Ta1Tc2
Ge1Ta1Tc2 is a complex ternary compound composed of germanium, tantalum, and technetium. Its electronic character classifies it as a semiconductor, positioning it as an intriguing subject for fundamental studies in solid-state physics and materials science.
Due to its near-hull thermodynamic stability, this compound is considered a promising candidate for experimental synthesis. The existence of multiple reported structures suggests significant potential for structural diversity, making it a valuable addition to the exploration of transition metal-based semiconductors.
Key Properties
Cross-validated computational properties for Ge1Ta1Tc2, 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 Ge1Ta1Tc2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0160 | -28.949 | 12.47 |
| Immm (No. 71) | orthorhombic | 0.27 | 3.8208 | -25.144 | 0.97 |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Ge1Ta1Tc2 is used.
Frequently Asked Questions
Common questions about Ge1Ta1Tc2, answered from cross-validated data.
What is Ge1Ta1Tc2?
Ge1Ta1Tc2 is a semiconducting ternary compound that is theoretically stable enough to be a target for laboratory synthesis.
What is Ge1Ta1Tc2 used for?
What is the band gap of Ge1Ta1Tc2?
Is Ge1Ta1Tc2 a metal, semiconductor, or insulator?
Is Ge1Ta1Tc2 thermodynamically stable?
What is the crystal structure of Ge1Ta1Tc2?
What is the density of Ge1Ta1Tc2?
How many polymorphs of Ge1Ta1Tc2 are known?
What elements does Ge1Ta1Tc2 contain?
Where does the data for Ge1Ta1Tc2 come from?
How It Compares
As a unique ternary system, Ge1Ta1Tc2 serves as an important reference point for future studies in this chemical space, offering a distinct electronic profile that distinguishes it from more common binary or elemental semiconductors.
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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