CaCd
Calcium cadmium is an intermetallic compound composed of calcium and cadmium. It is primarily studied in the context of solid-state chemistry and materials science research regarding its crystal structure and electronic properties.
CaCd
Overview
Key Properties
Cross-validated computational properties for CaCd, aggregated across 5 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.
Metallic / not reported
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.
0.000 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.
On hull (stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
5 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CaCd, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -1.818 | 4.58 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.74 |
| P-6m2 (No. 187) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 1.27 |
| Imma (No. 74) | Orthorhombic | — | — | — | 1.25 |
| Imma (No. 74) | Orthorhombic | — | — | — | 1.25 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.94 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 1.48 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 1.37 |
| Pm-3m (No. 221) | Cubic | — | — | — | 4.54 |
| Pm-3m (No. 221) | Cubic | — | — | — | 4.41 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.16 |
Uses
Applications
Where CaCd is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about CaCd, answered from cross-validated data.
What is CaCd?
Calcium cadmium is an intermetallic compound composed of calcium and cadmium. It is primarily studied in the context of solid-state chemistry and materials science research regarding its crystal structure and electronic properties.
More questions
What is CaCd used for?
CaCd is used in materials science research and solid-state chemistry studies.
What is the band gap of CaCd?
CaCd is computed to be metallic (no band gap) in the reported DFT structures.
Is CaCd a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CaCd thermodynamically stable?
Yes — CaCd sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CaCd?
The lowest-energy reported polymorph of CaCd is cubic symmetry, space group Pm-3m (No. 221).
What is the density of CaCd?
The computed density of the ground-state structure of CaCd is 4.58 g/cm³.
How many polymorphs of CaCd are known?
23 structures of CaCd are reported across 5 databases, spanning 7 distinct space groups.
What elements does CaCd contain?
CaCd contains Ca and Cd (2 elements).
Where does the data for CaCd come from?
CaCd data is cross-referenced from materials_project, mpaloe, jarvis, nomad, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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