Ca1Cd1Sb1
Ca1Cd1Sb1 is a stable, semiconducting ternary compound consisting of calcium, cadmium, and antimony.
About Ca1Cd1Sb1
Ca1Cd1Sb1 is a distinct ternary compound composed of calcium, cadmium, and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental materials exploration. Its electronic character identifies it as a semiconductor, positioning it as a candidate for specialized electronic or optoelectronic investigations. The compound has been characterized across multiple structural configurations, highlighting its versatility in solid-state chemistry.
Key Properties
Cross-validated computational properties for Ca1Cd1Sb1, aggregated across 3 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 Ca1Cd1Sb1, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.10 | 0.0000 | -2.954 | 5.22 |
| No. 0 | unknown | — | — | — | 3.20 |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
Applications
Where Ca1Cd1Sb1 is used.
Frequently Asked Questions
Common questions about Ca1Cd1Sb1, answered from cross-validated data.
What is Ca1Cd1Sb1?
Ca1Cd1Sb1 is a stable, semiconducting ternary compound consisting of calcium, cadmium, and antimony.
What is Ca1Cd1Sb1 used for?
What is the band gap of Ca1Cd1Sb1?
Is Ca1Cd1Sb1 a metal, semiconductor, or insulator?
Is Ca1Cd1Sb1 thermodynamically stable?
What is the crystal structure of Ca1Cd1Sb1?
What is the density of Ca1Cd1Sb1?
How many polymorphs of Ca1Cd1Sb1 are known?
What elements does Ca1Cd1Sb1 contain?
Where does the data for Ca1Cd1Sb1 come from?
How It Compares
As a unique ternary phase, Ca1Cd1Sb1 serves as an important benchmark for understanding the structural and electronic interplay between alkaline earth metals, transition metals, and pnictogens. Its stability ensures it remains a reliable subject for researchers looking to expand the library of semiconducting materials beyond traditional binary systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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