Ag2Ca1Mg1
Ag2Ca1Mg1 is a semiconducting ternary intermetallic compound composed of silver, calcium, and magnesium.
About Ag2Ca1Mg1
Ag2Ca1Mg1 is a complex intermetallic compound composed of silver, calcium, and magnesium. As a semiconducting material, it represents a unique intersection of noble metal and alkaline earth chemistry, offering distinct electronic properties that differentiate it from simple metallic alloys.
Due to its position above the thermodynamic hull, this compound is considered metastable, making it a subject of interest for researchers studying phase stability and synthesis pathways. Its existence across multiple reported structures suggests a rich, albeit challenging, landscape for experimental characterization.
Key Properties
Cross-validated computational properties for Ag2Ca1Mg1, 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 Ag2Ca1Mg1, 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 | 0.26 | 1.3400 | -1.272 | 0.36 |
| Pmm2 (No. 25) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag2Ca1Mg1, answered from cross-validated data.
What is Ag2Ca1Mg1?
Ag2Ca1Mg1 is a semiconducting ternary intermetallic compound composed of silver, calcium, and magnesium.
What is the band gap of Ag2Ca1Mg1?
Is Ag2Ca1Mg1 a metal, semiconductor, or insulator?
Is Ag2Ca1Mg1 thermodynamically stable?
What is the crystal structure of Ag2Ca1Mg1?
What is the density of Ag2Ca1Mg1?
How many polymorphs of Ag2Ca1Mg1 are known?
What elements does Ag2Ca1Mg1 contain?
Where does the data for Ag2Ca1Mg1 come from?
How It Compares
As a unique intermetallic phase, Ag2Ca1Mg1 serves as an exploratory material within the broader landscape of ternary silver-based systems, providing a case study for how the integration of calcium and magnesium influences the electronic behavior of silver-rich lattices.
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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