Au2Sc1Zn1
Au2Sc1Zn1 is a semiconducting ternary intermetallic compound that is predicted to be stable enough for laboratory synthesis.
About Au2Sc1Zn1
Au2Sc1Zn1 is a ternary intermetallic compound characterized by its semiconducting electronic nature. Its composition, involving gold, scandium, and zinc, places it in a unique structural category of interest for fundamental materials research.
Due to its near-hull thermodynamic stability, this compound is considered a promising candidate for experimental synthesis. Its existence across multiple structural configurations highlights its versatility and potential utility in specialized electronic or structural applications.
Key Properties
Cross-validated computational properties for Au2Sc1Zn1, 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 Au2Sc1Zn1, 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 | 0.0160 | -4.145 | 12.04 |
| Immm (No. 71) | orthorhombic | 0.23 | 1.6846 | -2.476 | 0.86 |
| Immm (No. 71) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Au2Sc1Zn1 is used.
Frequently Asked Questions
Common questions about Au2Sc1Zn1, answered from cross-validated data.
What is Au2Sc1Zn1?
Au2Sc1Zn1 is a semiconducting ternary intermetallic compound that is predicted to be stable enough for laboratory synthesis.
What is Au2Sc1Zn1 used for?
What is the band gap of Au2Sc1Zn1?
Is Au2Sc1Zn1 a metal, semiconductor, or insulator?
Is Au2Sc1Zn1 thermodynamically stable?
What is the crystal structure of Au2Sc1Zn1?
What is the density of Au2Sc1Zn1?
How many polymorphs of Au2Sc1Zn1 are known?
What elements does Au2Sc1Zn1 contain?
Where does the data for Au2Sc1Zn1 come from?
How It Compares
As a distinct ternary phase, Au2Sc1Zn1 occupies a specific niche within the landscape of intermetallic compounds, serving as a representative example of how combining noble metals with transition elements can yield stable, semiconducting electronic properties.
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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