Cd3As2
cadmium arsenide · cadmium(II) arsenide
Cadmium arsenide is a stable, high-mobility semiconductor frequently utilized in advanced research into topological materials and electronic transport.
About cadmium arsenide
Cadmium arsenide is a thermodynamically stable semiconductor that occupies a prominent position on the convex hull of its constituent elements. Its status as a highly studied material is reflected in the significant number of reported structures across major databases, highlighting its structural versatility and importance in condensed matter research.
This compound is primarily valued for its distinct electronic character, which facilitates specialized transport phenomena. It serves as a foundational material for exploring topological phases and high-mobility charge carriers, making it a key subject for researchers investigating the next generation of electronic and optoelectronic devices.
Key Properties
Cross-validated computational properties for cadmium arsenide, 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 Cd3As2. 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 Cd3As2, 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. |
|---|---|---|---|---|---|
| — | — | 0.13 | 0.0000 | -0.104 | — |
| I41/acd (No. 142) | tetragonal | 0.00 | 0.0000 | -2.510 | 5.98 |
| P42/nmc (No. 137) | tetragonal | 0.00 | 0.0020 | -2.508 | 6.19 |
| P42/nbc (No. 133) | tetragonal | 0.14 | 0.0203 | -2.490 | 5.92 |
| I41/acd (No. 142) | tetragonal | 0.00 | 0.0580 | -2.452 | 6.01 |
| Pn-3m (No. 224) | cubic | 0.00 | 0.1512 | 0.094 | — |
| Pn-3m (No. 224) | cubic | 0.00 | 0.1610 | -2.349 | 5.95 |
| — | — | 0.00 | 0.1634 | 0.060 | — |
| Pn-3m (No. 224) | cubic | — | — | — | 6.26 |
| I41/acd (No. 142) | tetragonal | — | — | — | 6.38 |
| Cm (No. 8) | monoclinic | — | — | — | 6.13 |
| Cm (No. 8) | monoclinic | — | — | — | 5.80 |
Applications
Where cadmium arsenide is used.
Frequently Asked Questions
Common questions about cadmium arsenide, answered from cross-validated data.
What is Cd3As2?
Cadmium arsenide is a stable, high-mobility semiconductor frequently utilized in advanced research into topological materials and electronic transport.
What is Cd3As2 used for?
What is the band gap of Cd3As2?
Is Cd3As2 a metal, semiconductor, or insulator?
Is Cd3As2 thermodynamically stable?
What is the crystal structure of Cd3As2?
What is the density of Cd3As2?
How many polymorphs of Cd3As2 are known?
What elements does Cd3As2 contain?
Where does the data for Cd3As2 come from?
How It Compares
As a thermodynamically stable semiconductor, cadmium arsenide stands out for its robust structural integrity and well-documented phase behavior. It serves as a benchmark material for investigating narrow-gap semiconducting properties and remains a primary focus for researchers seeking to understand the fundamental physics of high-mobility electronic systems.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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