SiTc2Zn
SiTc2Zn is a semiconducting ternary compound that exists in a metastable state.
About SiTc2Zn
SiTc2Zn is a complex inorganic compound featuring a combination of silicon, technetium, and zinc. As a semiconducting material, it exhibits electronic properties that bridge the gap between metallic and insulating behaviors, making it a subject of interest for fundamental solid-state physics studies.
Despite its interesting electronic profile, the compound is characterized as being above the thermodynamic hull. This suggests that it is a metastable phase, requiring specific synthesis conditions to stabilize its structure among the various configurations reported in materials databases.
Key Properties
Cross-validated computational properties for SiTc2Zn, aggregated across 3 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 SiTc2Zn, 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 | 0.39 | 3.0754 | -14.633 | 0.63 |
| Fm-3m (No. 225) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 8.67 |
| — | — | — | — | — | 7.71 |
Applications
Where SiTc2Zn is used.
Frequently Asked Questions
Common questions about SiTc2Zn, answered from cross-validated data.
What is SiTc2Zn?
SiTc2Zn is a semiconducting ternary compound that exists in a metastable state.
What is SiTc2Zn used for?
What is the band gap of SiTc2Zn?
Is SiTc2Zn a metal, semiconductor, or insulator?
Is SiTc2Zn thermodynamically stable?
What is the crystal structure of SiTc2Zn?
What is the density of SiTc2Zn?
How many polymorphs of SiTc2Zn are known?
What elements does SiTc2Zn contain?
Where does the data for SiTc2Zn come from?
How It Compares
As a unique ternary phase, SiTc2Zn occupies a distinct position in materials research where its stability and electronic properties are evaluated against more conventional semiconductors. Given the lack of established siblings in this specific chemical space, it serves as a primary example of the challenges and opportunities in synthesizing complex technetium-based compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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