Ag1Au2Ca1
Ag1Au2Ca1 is a semiconducting ternary intermetallic compound containing silver, gold, and calcium that exists in a metastable state.
About Ag1Au2Ca1
Ag1Au2Ca1 is a ternary intermetallic compound composed of silver, gold, and calcium. As a semiconducting material, it occupies a unique electronic space within its structural family, representing a complex arrangement of metallic elements that deviate from typical metallic conductivity.
This compound is characterized by its position above the thermodynamic hull, suggesting that it exists as a metastable phase. Its structural diversity is highlighted by numerous reported configurations, reflecting the intricate bonding environment created by the combination of coinage metals and alkaline earth elements.
Key Properties
Cross-validated computational properties for Ag1Au2Ca1, 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 Ag1Au2Ca1, 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 | 0.35 | 1.2668 | -31.705 | 0.79 |
| Pmm2 (No. 25) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag1Au2Ca1, answered from cross-validated data.
What is Ag1Au2Ca1?
Ag1Au2Ca1 is a semiconducting ternary intermetallic compound containing silver, gold, and calcium that exists in a metastable state.
What is the band gap of Ag1Au2Ca1?
Is Ag1Au2Ca1 a metal, semiconductor, or insulator?
Is Ag1Au2Ca1 thermodynamically stable?
What is the crystal structure of Ag1Au2Ca1?
What is the density of Ag1Au2Ca1?
How many polymorphs of Ag1Au2Ca1 are known?
What elements does Ag1Au2Ca1 contain?
Where does the data for Ag1Au2Ca1 come from?
How It Compares
As a unique ternary phase, Ag1Au2Ca1 represents a specialized case within intermetallic materials, where the interplay between noble metals and calcium drives its distinct semiconducting behavior rather than the metallic character often expected in such alloys.
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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