CdP4
CdP4 is a stable semiconducting compound formed from cadmium and phosphorus that is primarily utilized in materials science research.
About CdP4
CdP4 is a thermodynamically stable inorganic compound composed of cadmium and phosphorus. As a semiconducting material, it occupies a distinct niche in solid-state chemistry, characterized by its presence on the convex hull, which indicates high structural integrity under standard conditions. The compound is of significant interest to materials scientists studying the electronic properties of metal-phosphide systems. Its stable configuration and semiconducting nature make it a candidate for fundamental research into electronic device architectures and semiconductor physics.
Key Properties
Cross-validated computational properties for CdP4, 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 CdP4. 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 CdP4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.50 | 0.0000 | -11.343 | 3.80 |
| P21/c (No. 14) | monoclinic | 0.48 | 0.0000 | -0.088 | — |
| — | — | — | 0.0000 | -0.267 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 3.79 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.85 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.72 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.80 |
Applications
Where CdP4 is used.
Frequently Asked Questions
Common questions about CdP4, answered from cross-validated data.
What is CdP4?
CdP4 is a stable semiconducting compound formed from cadmium and phosphorus that is primarily utilized in materials science research.
What is CdP4 used for?
What is the band gap of CdP4?
Is CdP4 a metal, semiconductor, or insulator?
Is CdP4 thermodynamically stable?
What is the crystal structure of CdP4?
What is the density of CdP4?
How many polymorphs of CdP4 are known?
What elements does CdP4 contain?
Where does the data for CdP4 come from?
How It Compares
As a stable member of the cadmium-phosphorus system, CdP4 represents a well-defined crystalline phase that serves as a benchmark for understanding the bonding and electronic behavior of metal-rich phosphides.
Data sources & attribution
- 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)
- 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)
- 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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