DyP5
DyP5 is a thermodynamically stable, semimetallic compound formed from dysprosium and phosphorus.
About DyP5
DyP5 is a binary phosphide compound composed of dysprosium and phosphorus. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within the rare-earth phosphide family.
This material exhibits a near-zero-gap electronic character, positioning it as a semimetallic conductor. Its structural integrity and electronic properties make it a subject of interest for fundamental research into rare-earth-based electronic systems.
Key Properties
Cross-validated computational properties for DyP5, aggregated across 4 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 DyP5. 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 DyP5, 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/m (No. 11) | monoclinic | 0.26 | 0.0000 | -0.588 | — |
| — | — | 0.21 | 0.0000 | -0.744 | — |
| P21/m (No. 11) | monoclinic | 0.09 | 0.0000 | -13.469 | 4.33 |
| P21/m (No. 11) | monoclinic | — | — | — | — |
Applications
Where DyP5 is used.
Frequently Asked Questions
Common questions about DyP5, answered from cross-validated data.
What is DyP5?
DyP5 is a thermodynamically stable, semimetallic compound formed from dysprosium and phosphorus.
What is DyP5 used for?
What is the band gap of DyP5?
Is DyP5 a metal, semiconductor, or insulator?
Is DyP5 thermodynamically stable?
What is the crystal structure of DyP5?
How many polymorphs of DyP5 are known?
What elements does DyP5 contain?
Where does the data for DyP5 come from?
How It Compares
As a stable binary phosphide, DyP5 serves as a distinct representative of the rare-earth phosphorus system, providing a baseline for understanding the structural and electronic evolution of lanthanide-rich phosphides.
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)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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