CdP2
cadmium diphosphide · cadmium phosphide
Cadmium diphosphide is a thermodynamically stable semiconducting compound used in advanced electronic and optical research.
About cadmium diphosphide
Cadmium diphosphide is a semiconducting material composed of cadmium and phosphorus. It is recognized for its thermodynamic stability, sitting securely on the convex hull, which makes it a reliable subject for structural and electronic investigation. The compound exhibits a rich structural diversity, with numerous reported configurations across scientific databases, highlighting its complex and versatile nature in solid-state chemistry. Its electronic character positions it as a significant candidate for specialized semiconductor applications, particularly where stable, narrow-to-moderate gap materials are required for light-matter interactions. Researchers value its predictable behavior in device environments, leveraging its well-defined crystalline phases for consistent performance.
Key Properties
Cross-validated computational properties for cadmium diphosphide, 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.
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 CdP2. 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 CdP2, 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. |
|---|---|---|---|---|---|
| — | — | 1.57 | 0.0000 | -0.296 | — |
| P43212 (No. 96) | tetragonal | 1.46 | 0.0000 | -12.884 | 4.13 |
| P41212 (No. 92) | tetragonal | 1.43 | 0.0000 | -0.118 | — |
| P41212 (No. 92) | tetragonal | 1.46 | 0.0000 | -12.884 | 4.18 |
| Pna21 (No. 33) | orthorhombic | 1.43 | 0.0008 | -12.884 | 4.13 |
| — | — | 1.51 | 0.0010 | -0.295 | — |
| Pna21 (No. 33) | orthorhombic | 1.42 | 0.0010 | -0.117 | — |
| — | — | 1.53 | 0.0137 | -0.282 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.1118 | -0.006 | — |
| — | — | 0.00 | 0.3325 | 0.037 | — |
| Pmmm (No. 47) | orthorhombic | 0.00 | 0.5716 | 0.453 | — |
| — | — | 0.00 | 0.6910 | 0.395 | — |
Applications
Where cadmium diphosphide is used.
Frequently Asked Questions
Common questions about cadmium diphosphide, answered from cross-validated data.
What is CdP2?
Cadmium diphosphide is a thermodynamically stable semiconducting compound used in advanced electronic and optical research.
What is CdP2 used for?
What is the band gap of CdP2?
Is CdP2 a metal, semiconductor, or insulator?
Is CdP2 thermodynamically stable?
What is the crystal structure of CdP2?
What is the density of CdP2?
How many polymorphs of CdP2 are known?
What elements does CdP2 contain?
Where does the data for CdP2 come from?
How It Compares
As a standalone member of its specific chemical family in this context, cadmium diphosphide serves as a primary benchmark for cadmium-phosphorus systems. Its position on the convex hull ensures it remains a central reference point for understanding the stability and electronic evolution of phosphide-based semiconductors, distinguishing it from less stable or metastable phases that might otherwise be difficult to synthesize or integrate into functional devices.
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.
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