Ga1Nb1Tc2
Ga1Nb1Tc2 is a semimetallic ternary compound composed of gallium, niobium, and technetium that is considered a viable target for experimental synthesis.
About Ga1Nb1Tc2
Ga1Nb1Tc2 is a complex ternary compound composed of gallium, niobium, and technetium. Its electronic structure characterizes it as a near-zero-gap semimetal, placing it in a specialized category of materials where conduction properties are highly sensitive to atomic arrangement.
As a material positioned near the thermodynamic hull, this compound is considered a strong candidate for successful laboratory synthesis. Its structural diversity, evidenced by numerous reported configurations, suggests a complex energy landscape that warrants further experimental investigation.
Key Properties
Cross-validated computational properties for Ga1Nb1Tc2, 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 Ga1Nb1Tc2, 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 | 0.0150 | -22.284 | 9.82 |
| Immm (No. 71) | orthorhombic | 0.05 | 3.4581 | -18.841 | 0.75 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Ga1Nb1Tc2 is used.
Frequently Asked Questions
Common questions about Ga1Nb1Tc2, answered from cross-validated data.
What is Ga1Nb1Tc2?
Ga1Nb1Tc2 is a semimetallic ternary compound composed of gallium, niobium, and technetium that is considered a viable target for experimental synthesis.
What is Ga1Nb1Tc2 used for?
What is the band gap of Ga1Nb1Tc2?
Is Ga1Nb1Tc2 a metal, semiconductor, or insulator?
Is Ga1Nb1Tc2 thermodynamically stable?
What is the crystal structure of Ga1Nb1Tc2?
What is the density of Ga1Nb1Tc2?
How many polymorphs of Ga1Nb1Tc2 are known?
What elements does Ga1Nb1Tc2 contain?
Where does the data for Ga1Nb1Tc2 come from?
How It Compares
As a singular entry in this specific compositional space, Ga1Nb1Tc2 serves as a foundational reference point for future studies into gallium-niobium-technetium systems, representing a unique intersection of transition metal and post-transition metal chemistry.
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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