Ag2Ca1Cd1
This is a ternary intermetallic compound composed of silver, calcium, and cadmium. It is primarily studied in materials science research for its structural properties and crystalline phase behavior.
AgCaCd
Overview
Key Properties
Cross-validated computational properties for Ag2Ca1Cd1, 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.
0.58 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.
1.171 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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
2 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag2Ca1Cd1, 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 | 0.58 | 1.1707 | -1.237 | 0.47 |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Uses
Applications
Where Ag2Ca1Cd1 is used.
Materials science researchCrystallographic studies
Reference
Frequently Asked Questions
Common questions about Ag2Ca1Cd1, answered from cross-validated data.
What is Ag2Ca1Cd1?
This is a ternary intermetallic compound composed of silver, calcium, and cadmium. It is primarily studied in materials science research for its structural properties and crystalline phase behavior.
More questions
What is Ag2Ca1Cd1 used for?
Ag2Ca1Cd1 is used in materials science research and crystallographic studies.
What is the band gap of Ag2Ca1Cd1?
Ag2Ca1Cd1 has a DFT-computed band gap of 0.58 eV across 26 reported structures.
Is Ag2Ca1Cd1 a metal, semiconductor, or insulator?
With a band gap up to 0.58 eV it is a semiconductor.
Is Ag2Ca1Cd1 thermodynamically stable?
Ag2Ca1Cd1 has a lowest energy above hull of 1.171 eV/atom (above hull).
What is the crystal structure of Ag2Ca1Cd1?
The lowest-energy reported polymorph of Ag2Ca1Cd1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ag2Ca1Cd1?
The computed density of the ground-state structure of Ag2Ca1Cd1 is 0.47 g/cm³.
How many polymorphs of Ag2Ca1Cd1 are known?
26 structures of Ag2Ca1Cd1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Ag2Ca1Cd1 contain?
Ag2Ca1Cd1 contains Ag, Ca, and Cd (3 elements).
Where does the data for Ag2Ca1Cd1 come from?
Ag2Ca1Cd1 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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