SiTaTc2
SiTaTc2 is a semiconducting ternary compound containing silicon, tantalum, and technetium that is currently identified as a metastable phase.
About SiTaTc2
SiTaTc2 is a complex ternary compound composed of silicon, tantalum, and technetium. As a semiconducting material, it represents an intriguing intersection of transition metal chemistry and semiconductor physics, offering a unique electronic environment defined by its specific elemental constituents.
While the compound has been documented across multiple structural databases, current thermodynamic analysis suggests it resides above the stability hull. This indicates that the material may be metastable or difficult to synthesize under standard conditions, marking it as a subject of interest for advanced computational materials discovery.
Key Properties
Cross-validated computational properties for SiTaTc2, 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 SiTaTc2, 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 | 0.15 | 4.1011 | -23.767 | 0.88 |
| Immm (No. 71) | — | — | — | — | — |
| — | — | — | — | — | 10.42 |
| — | — | — | — | — | 11.25 |
| — | — | — | — | — | 11.23 |
Frequently Asked Questions
Common questions about SiTaTc2, answered from cross-validated data.
What is SiTaTc2?
SiTaTc2 is a semiconducting ternary compound containing silicon, tantalum, and technetium that is currently identified as a metastable phase.
What is the band gap of SiTaTc2?
Is SiTaTc2 a metal, semiconductor, or insulator?
Is SiTaTc2 thermodynamically stable?
What is the crystal structure of SiTaTc2?
What is the density of SiTaTc2?
How many polymorphs of SiTaTc2 are known?
What elements does SiTaTc2 contain?
Where does the data for SiTaTc2 come from?
How It Compares
As a unique ternary phase, SiTaTc2 occupies a specialized niche within materials science. Unlike more common binary semiconductors, its inclusion of technetium—a rare, radioactive transition metal—distinguishes its chemical behavior and structural complexity from conventional electronic materials.
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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