Ag1Cu2Sc1
Ag1Cu2Sc1 is a semimetallic ternary compound of silver, copper, and scandium that exists as a metastable phase.
About Ag1Cu2Sc1
Ag1Cu2Sc1 is a complex ternary inorganic compound composed of silver, copper, and scandium. Its electronic structure exhibits a near-zero-gap character, placing it in the semimetallic regime where conduction properties are highly sensitive to structural configuration.
Due to its position above the thermodynamic hull, this material is considered metastable or unstable under standard conditions. Despite this, it remains a subject of interest in materials informatics, with numerous structural variants documented across databases that highlight the diverse ways these elements can arrange themselves.
Key Properties
Cross-validated computational properties for Ag1Cu2Sc1, 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 Ag1Cu2Sc1, 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 | 0.03 | 2.1082 | -11.738 | 0.55 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag1Cu2Sc1, answered from cross-validated data.
What is Ag1Cu2Sc1?
Ag1Cu2Sc1 is a semimetallic ternary compound of silver, copper, and scandium that exists as a metastable phase.
What is the band gap of Ag1Cu2Sc1?
Is Ag1Cu2Sc1 a metal, semiconductor, or insulator?
Is Ag1Cu2Sc1 thermodynamically stable?
What is the crystal structure of Ag1Cu2Sc1?
What is the density of Ag1Cu2Sc1?
How many polymorphs of Ag1Cu2Sc1 are known?
What elements does Ag1Cu2Sc1 contain?
Where does the data for Ag1Cu2Sc1 come from?
How It Compares
As a unique ternary phase, Ag1Cu2Sc1 represents a specific point in the vast compositional space of silver-copper-scandium systems. While it lacks direct siblings in this specific dataset, its existence as a metastable phase provides a valuable case study for understanding the formation of complex intermetallic compounds that exist outside of ground-state stability.
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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