Ag1Cd2Na1
This is a ternary intermetallic compound composed of silver, cadmium, and sodium. It is primarily studied in the field of solid-state chemistry for its structural properties and potential behavior in complex metallic alloy systems.
AgCdNa
Overview
Key Properties
Cross-validated computational properties for Ag1Cd2Na1, 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.
0.65 eV
Range across DFT structures
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.
0.024 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
28
2 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag1Cd2Na1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0244 | -1.560 | 6.77 |
| Immm (No. 71) | orthorhombic | 0.65 | 0.7458 | -0.839 | 0.44 |
| P2/m (No. 10) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where Ag1Cd2Na1 is used.
Fundamental materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Ag1Cd2Na1, answered from cross-validated data.
What is Ag1Cd2Na1?
This is a ternary intermetallic compound composed of silver, cadmium, and sodium. It is primarily studied in the field of solid-state chemistry for its structural properties and potential behavior in complex metallic alloy systems.
More questions
What is Ag1Cd2Na1 used for?
Ag1Cd2Na1 is used in fundamental materials science research and solid-state chemistry studies.
What is the band gap of Ag1Cd2Na1?
Ag1Cd2Na1 has a DFT-computed band gap of 0.65 eV across 28 reported structures.
Is Ag1Cd2Na1 a metal, semiconductor, or insulator?
With a band gap up to 0.65 eV it is a semiconductor.
Is Ag1Cd2Na1 thermodynamically stable?
Ag1Cd2Na1 has a lowest energy above hull of 0.024 eV/atom (near hull (likely stable)).
What is the crystal structure of Ag1Cd2Na1?
The lowest-energy reported polymorph of Ag1Cd2Na1 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Ag1Cd2Na1?
The computed density of the ground-state structure of Ag1Cd2Na1 is 6.77 g/cm³.
How many polymorphs of Ag1Cd2Na1 are known?
28 structures of Ag1Cd2Na1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Ag1Cd2Na1 contain?
Ag1Cd2Na1 contains Ag, Cd, and Na (3 elements).
Where does the data for Ag1Cd2Na1 come from?
Ag1Cd2Na1 data is cross-referenced from materials_project, aflow.
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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