Mg1Ni2Sc1
Mg1Ni2Sc1 is a metastable, semiconducting ternary intermetallic compound containing magnesium, nickel, and scandium.
About Mg1Ni2Sc1
Mg1Ni2Sc1 is a ternary intermetallic compound composed of magnesium, nickel, and scandium. It exhibits semiconducting electronic properties, distinguishing it from typical metallic alloys in this compositional space.
Due to its position above the thermodynamic hull, this material is considered metastable. Its existence is supported by a significant number of reported structural configurations, highlighting its complexity in solid-state chemistry.
Key Properties
Cross-validated computational properties for Mg1Ni2Sc1, aggregated across 2 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 Mg1Ni2Sc1, 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 | 0.42 | 2.1775 | -3.094 | 0.44 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Mg1Ni2Sc1, answered from cross-validated data.
What is Mg1Ni2Sc1?
Mg1Ni2Sc1 is a metastable, semiconducting ternary intermetallic compound containing magnesium, nickel, and scandium.
What is the band gap of Mg1Ni2Sc1?
Is Mg1Ni2Sc1 a metal, semiconductor, or insulator?
Is Mg1Ni2Sc1 thermodynamically stable?
What is the crystal structure of Mg1Ni2Sc1?
What is the density of Mg1Ni2Sc1?
How many polymorphs of Mg1Ni2Sc1 are known?
What elements does Mg1Ni2Sc1 contain?
Where does the data for Mg1Ni2Sc1 come from?
How It Compares
As a unique ternary phase, Mg1Ni2Sc1 represents a specialized case within intermetallic systems. Unlike more common, highly stable binary alloys, this compound occupies a metastable regime that offers insights into the structural diversity possible when combining these specific elements.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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