MgSc
MgSc is a thermodynamically stable metallic intermetallic compound known for its well-documented structural properties.
About MgSc
MgSc is a metallic intermetallic compound characterized by its robust thermodynamic stability. As a material that resides on the convex hull, it represents a highly favorable structural configuration that has been extensively documented across multiple crystallographic databases. Its metallic nature suggests high electrical and thermal conductivity, making it a subject of interest for fundamental solid-state research. The prevalence of reported structures highlights its significance in understanding binary alloy systems and phase stability. By providing a stable crystalline framework, MgSc serves as a key reference point for researchers investigating the interactions between alkaline earth metals and transition metals. Its well-defined structural profile facilitates deeper insights into the bonding behavior and electronic properties inherent to this specific binary combination.
Key Properties
Cross-validated computational properties for MgSc, aggregated across 4 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 MgSc, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | -4.008 | 2.47 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0014 | -4.006 | 2.47 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0184 | -3.989 | 2.46 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.35 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 1.29 |
| — | — | — | — | — | 2.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.62 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.90 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.25 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.32 |
| P1 (No. 1) | Triclinic | — | — | — | 2.95 |
Applications
Where MgSc is used.
Frequently Asked Questions
Common questions about MgSc, answered from cross-validated data.
What is MgSc?
MgSc is a thermodynamically stable metallic intermetallic compound known for its well-documented structural properties.
What is MgSc used for?
What is the band gap of MgSc?
Is MgSc a metal, semiconductor, or insulator?
Is MgSc thermodynamically stable?
What is the crystal structure of MgSc?
What is the density of MgSc?
How many polymorphs of MgSc are known?
What elements does MgSc contain?
Where does the data for MgSc come from?
How It Compares
As a thermodynamically stable metallic phase, MgSc serves as a foundational example of binary alloy behavior. Within its class of intermetallic compounds, it is distinguished by its high degree of structural documentation, reflecting a reliable and well-understood phase that provides a benchmark for studying similar magnesium-scandium systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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