Nb1Sn1Tc2
Nb1Sn1Tc2 is a thermodynamically stable, semimetallic ternary compound composed of niobium, tin, and technetium.
About Nb1Sn1Tc2
Nb1Sn1Tc2 is a complex inorganic compound composed of niobium, tin, and technetium. It resides on the convex hull, indicating that it is a thermodynamically stable phase under standard conditions. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime where conduction properties are highly sensitive to its structural arrangement. With numerous reported structures, this material is a subject of interest for fundamental solid-state studies. Its stability and unique elemental combination make it a notable entry in materials databases for researchers investigating complex ternary systems. The interplay between the transition metals and the main-group element provides a rich landscape for exploring electronic behavior in the semimetallic state.
Key Properties
Cross-validated computational properties for Nb1Sn1Tc2, 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 Nb1Sn1Tc2, 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 | 0.0000 | -25.560 | 10.25 |
| Immm (No. 71) | orthorhombic | 0.09 | 3.5582 | -22.002 | 0.81 |
| I-4m2 (No. 119) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Nb1Sn1Tc2, answered from cross-validated data.
What is Nb1Sn1Tc2?
Nb1Sn1Tc2 is a thermodynamically stable, semimetallic ternary compound composed of niobium, tin, and technetium.
What is the band gap of Nb1Sn1Tc2?
Is Nb1Sn1Tc2 a metal, semiconductor, or insulator?
Is Nb1Sn1Tc2 thermodynamically stable?
What is the crystal structure of Nb1Sn1Tc2?
What is the density of Nb1Sn1Tc2?
How many polymorphs of Nb1Sn1Tc2 are known?
What elements does Nb1Sn1Tc2 contain?
Where does the data for Nb1Sn1Tc2 come from?
How It Compares
As a distinct ternary phase, Nb1Sn1Tc2 occupies a specialized niche in materials science. Unlike simpler binary alloys, this compound demonstrates the stability achievable through the precise integration of niobium, tin, and technetium, serving as a reference point for understanding the phase behavior of complex transition metal-based systems.
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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