GaMgSc
GaMgSc is a thermodynamically stable, semimetallic intermetallic compound composed of gallium, magnesium, and scandium.
About GaMgSc
GaMgSc is a distinct ternary intermetallic compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. Its electronic character is defined as near-zero-gap, placing it within the category of semimetallic materials that often exhibit unique transport properties.
Because of its stability and electronic nature, this compound serves as a subject of interest for researchers investigating new intermetallic phases. It represents a specific structural arrangement of gallium, magnesium, and scandium that warrants further exploration for potential functional applications in solid-state physics.
Key Properties
Cross-validated computational properties for GaMgSc, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of GaMgSc. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for GaMgSc, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 0.00 | 0.0000 | -4.573 | 3.87 |
| F-43m (No. 216) | cubic | 0.06 | 0.1393 | -3.943 | 3.40 |
| — | — | — | — | — | 3.17 |
| No. 0 | unknown | — | — | — | 1.15 |
Applications
Where GaMgSc is used.
Frequently Asked Questions
Common questions about GaMgSc, answered from cross-validated data.
What is GaMgSc?
GaMgSc is a thermodynamically stable, semimetallic intermetallic compound composed of gallium, magnesium, and scandium.
What is GaMgSc used for?
What is the band gap of GaMgSc?
Is GaMgSc a metal, semiconductor, or insulator?
Is GaMgSc thermodynamically stable?
What is the crystal structure of GaMgSc?
What is the density of GaMgSc?
How many polymorphs of GaMgSc are known?
What elements does GaMgSc contain?
Where does the data for GaMgSc come from?
How It Compares
As a unique ternary phase, GaMgSc stands as a distinct entry in the landscape of intermetallic compounds. While it does not share its immediate structural class with other common compounds, its thermodynamic stability makes it a reliable reference point for future studies into complex metallic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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