CdAs
CdAs is a semimetallic cadmium-arsenic compound characterized by its structural complexity and potential for laboratory synthesis.
About CdAs
CdAs is a binary inorganic compound composed of cadmium and arsenic. It exhibits a semimetallic electronic character, placing it in a specialized category of materials that bridge the gap between traditional semiconductors and metals.
This compound is notable for its proximity to the thermodynamic stability hull, suggesting it is a viable candidate for experimental synthesis. With numerous reported structures documented across databases, it serves as a significant subject for researchers investigating complex phase behavior in binary systems.
Key Properties
Cross-validated computational properties for CdAs, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CdAs. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CdAs, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.10 | 0.0000 | -0.070 | — |
| — | — | 0.21 | 0.0132 | -0.085 | — |
| Pbca (No. 61) | orthorhombic | 0.09 | 0.0156 | -2.864 | 6.47 |
| — | — | 0.00 | 0.1714 | 0.073 | — |
| — | — | 0.00 | 0.2170 | 0.119 | — |
| — | — | 0.00 | 0.2852 | 0.187 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.3194 | 0.250 | — |
| — | — | 0.00 | 0.3320 | 0.234 | — |
| — | — | 0.00 | 0.3453 | 0.247 | — |
| — | — | 0.00 | 0.3552 | 0.257 | — |
| — | — | 0.00 | 0.3665 | 0.268 | — |
| P1 (No. 1) | triclinic | — | — | — | 9.53 |
Applications
Where CdAs is used.
Frequently Asked Questions
Common questions about CdAs, answered from cross-validated data.
What is CdAs?
CdAs is a semimetallic cadmium-arsenic compound characterized by its structural complexity and potential for laboratory synthesis.
What is CdAs used for?
What is the band gap of CdAs?
Is CdAs a metal, semiconductor, or insulator?
Is CdAs thermodynamically stable?
What is the crystal structure of CdAs?
How many polymorphs of CdAs are known?
What elements does CdAs contain?
Where does the data for CdAs come from?
How It Compares
As a distinct binary phase, CdAs represents an intriguing case study in cadmium-arsenic chemistry. While it lacks direct structural siblings in this context, its semimetallic nature and structural diversity highlight the intricate bonding landscapes possible within this material family.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze CdAs in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →