AgS2Sc
AgS2Sc is a stable, semiconducting ternary compound consisting of silver, sulfur, and scandium.
About AgS2Sc
AgS2Sc is a distinct ternary compound composed of silver, sulfur, and scandium. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that is well-supported by computational data across multiple databases.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for specialized electronic or optoelectronic applications. Its existence in several distinct structural forms highlights its versatility and potential for further investigation in solid-state chemistry.
Key Properties
Cross-validated computational properties for AgS2Sc, 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.
Reported Structures
Lowest-energy structures reported for AgS2Sc, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 1.24 | 0.0000 | -13.613 | 4.31 |
| — | — | — | — | — | 4.22 |
| — | — | — | — | — | 4.22 |
| — | — | — | — | — | 3.68 |
| R3m (No. 160) | — | — | — | — | — |
| — | — | — | — | — | 4.22 |
| — | — | — | — | — | 3.68 |
Applications
Where AgS2Sc is used.
Frequently Asked Questions
Common questions about AgS2Sc, answered from cross-validated data.
What is AgS2Sc?
AgS2Sc is a stable, semiconducting ternary compound consisting of silver, sulfur, and scandium.
What is AgS2Sc used for?
What is the band gap of AgS2Sc?
Is AgS2Sc a metal, semiconductor, or insulator?
Is AgS2Sc thermodynamically stable?
What is the crystal structure of AgS2Sc?
What is the density of AgS2Sc?
How many polymorphs of AgS2Sc are known?
What elements does AgS2Sc contain?
Where does the data for AgS2Sc come from?
How It Compares
As a unique ternary phase, AgS2Sc occupies a specialized niche in materials science. Without direct structural siblings in its immediate class, it serves as a foundational example of how silver-sulfur-scandium combinations can achieve thermodynamic stability while maintaining semiconducting behavior.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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