Ag2Sc1Zn1
Ag2Sc1Zn1 is a semiconducting ternary intermetallic compound characterized by a complex structural landscape.
About Ag2Sc1Zn1
Ag2Sc1Zn1 is a complex intermetallic compound composed of silver, scandium, and zinc. As a semiconducting material, it exhibits unique electronic characteristics that distinguish it from typical metallic alloys, making it a subject of interest for fundamental solid-state research.
While the compound is currently categorized as thermodynamically unstable relative to its constituent elements, its structural complexity is evidenced by numerous reported configurations in computational databases. This structural diversity highlights the intricate bonding environments possible within ternary systems containing transition and rare-earth elements.
Key Properties
Cross-validated computational properties for Ag2Sc1Zn1, 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 Ag2Sc1Zn1, 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 | 0.17 | 1.7570 | -1.823 | 0.51 |
| Immm (No. 71) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag2Sc1Zn1, answered from cross-validated data.
What is Ag2Sc1Zn1?
Ag2Sc1Zn1 is a semiconducting ternary intermetallic compound characterized by a complex structural landscape.
What is the band gap of Ag2Sc1Zn1?
Is Ag2Sc1Zn1 a metal, semiconductor, or insulator?
Is Ag2Sc1Zn1 thermodynamically stable?
What is the crystal structure of Ag2Sc1Zn1?
What is the density of Ag2Sc1Zn1?
How many polymorphs of Ag2Sc1Zn1 are known?
What elements does Ag2Sc1Zn1 contain?
Where does the data for Ag2Sc1Zn1 come from?
How It Compares
As a unique ternary phase, Ag2Sc1Zn1 occupies a specialized niche in materials science where the interplay between noble metals and rare-earth components creates complex, non-trivial electronic structures that deviate from standard metallic behavior.
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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