ScTc3
ScTc3 is a metallic intermetallic compound formed from scandium and technetium that exhibits a variety of structural configurations.
About ScTc3
ScTc3 is a metallic intermetallic compound composed of scandium and technetium. As a metallic phase, it exhibits characteristic electronic behavior associated with its transition metal constituents, reflecting the complex bonding environments found in such binary systems.
Despite its metallic nature, the compound is characterized as being above the thermodynamic hull, suggesting limited stability under standard conditions. It remains a subject of interest for researchers mapping the structural diversity of scandium-technetium combinations, with numerous reported structures documented across various databases.
Key Properties
Cross-validated computational properties for ScTc3, aggregated across 5 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 ScTc3, 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 | 0.1154 | -9.467 | 9.23 |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.88 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 11.52 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.34 |
| Fm-3m (No. 225) | Cubic | — | — | — | 9.23 |
| P21/c (No. 14) | Monoclinic | — | — | — | 8.79 |
| Fm-3m (No. 225) | Cubic | — | — | — | 9.06 |
| Fm-3m (No. 225) | Cubic | — | — | — | 9.63 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.51 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 11.23 |
Frequently Asked Questions
Common questions about ScTc3, answered from cross-validated data.
What is ScTc3?
ScTc3 is a metallic intermetallic compound formed from scandium and technetium that exhibits a variety of structural configurations.
What is the band gap of ScTc3?
Is ScTc3 a metal, semiconductor, or insulator?
Is ScTc3 thermodynamically stable?
What is the crystal structure of ScTc3?
What is the density of ScTc3?
How many polymorphs of ScTc3 are known?
What elements does ScTc3 contain?
Where does the data for ScTc3 come from?
How It Compares
As a unique binary combination of scandium and technetium, ScTc3 represents a specific point in the phase space of these transition metals. Without established siblings in this specific stoichiometry, it serves as a distinct case study for understanding the structural preferences and metastable potential of scandium-rich or technetium-rich intermetallic phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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