MgSc2Tc
MgSc2Tc is a metallic ternary compound that exhibits sufficient thermodynamic stability to be considered a viable target for experimental synthesis.
About MgSc2Tc
MgSc2Tc is a metallic ternary compound composed of magnesium, scandium, and technetium. Its electronic character is defined by its metallic nature, lacking a band gap, which suggests high electrical conductivity and potential utility in specialized electronic or structural applications. The material is characterized by its near-hull thermodynamic stability, indicating that it is a viable candidate for synthesis in laboratory settings. With multiple reported structures across various databases, it remains an intriguing subject for researchers investigating complex intermetallic phases.
Key Properties
Cross-validated computational properties for MgSc2Tc, 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 MgSc2Tc, 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 | 0.0178 | -6.278 | 4.63 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 4.48 |
| — | — | — | — | — | 4.42 |
| — | — | — | — | — | 4.37 |
| — | — | — | — | — | 4.42 |
| — | — | — | — | — | 4.42 |
| Cmmm (No. 65) | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where MgSc2Tc is used.
Frequently Asked Questions
Common questions about MgSc2Tc, answered from cross-validated data.
What is MgSc2Tc?
MgSc2Tc is a metallic ternary compound that exhibits sufficient thermodynamic stability to be considered a viable target for experimental synthesis.
What is MgSc2Tc used for?
What is the band gap of MgSc2Tc?
Is MgSc2Tc a metal, semiconductor, or insulator?
Is MgSc2Tc thermodynamically stable?
What is the crystal structure of MgSc2Tc?
What is the density of MgSc2Tc?
How many polymorphs of MgSc2Tc are known?
What elements does MgSc2Tc contain?
Where does the data for MgSc2Tc come from?
How It Compares
As a unique ternary intermetallic phase, MgSc2Tc occupies a distinct position in materials research. While it lacks direct structural siblings in this specific grouping, its near-hull stability suggests it shares the favorable thermodynamic profile often sought in stable, synthesizable metallic alloys.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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