Ca2Cd1Zn1
Ca2Cd1Zn1 is a semiconducting ternary intermetallic compound that is considered a viable candidate for laboratory synthesis.
About Ca2Cd1Zn1
Ca2Cd1Zn1 is a semiconducting intermetallic compound composed of calcium, cadmium, and zinc. Its electronic properties and structural configuration make it an intriguing subject for investigating complex bonding environments in ternary systems.
As a near-hull material, this compound is considered a promising candidate for experimental synthesis. Its presence across multiple reported structural configurations highlights its significance in the study of stable or metastable phases within the calcium-cadmium-zinc system.
Key Properties
Cross-validated computational properties for Ca2Cd1Zn1, 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 Ca2Cd1Zn1, 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 | 0.0126 | -1.837 | 4.07 |
| Immm (No. 71) | orthorhombic | 0.31 | 1.4736 | -0.376 | 0.27 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Ca2Cd1Zn1 is used.
Frequently Asked Questions
Common questions about Ca2Cd1Zn1, answered from cross-validated data.
What is Ca2Cd1Zn1?
Ca2Cd1Zn1 is a semiconducting ternary intermetallic compound that is considered a viable candidate for laboratory synthesis.
What is Ca2Cd1Zn1 used for?
What is the band gap of Ca2Cd1Zn1?
Is Ca2Cd1Zn1 a metal, semiconductor, or insulator?
Is Ca2Cd1Zn1 thermodynamically stable?
What is the crystal structure of Ca2Cd1Zn1?
What is the density of Ca2Cd1Zn1?
How many polymorphs of Ca2Cd1Zn1 are known?
What elements does Ca2Cd1Zn1 contain?
Where does the data for Ca2Cd1Zn1 come from?
How It Compares
As a ternary intermetallic phase, Ca2Cd1Zn1 represents a specialized structural arrangement within the broader field of alkaline-earth transition metal alloys. It serves as a unique case study in how the combination of calcium with cadmium and zinc influences electronic behavior, providing a distinct data point for researchers mapping the stability landscape of these complex metallic systems.
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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