HoP5
HoP5 is a thermodynamically stable holmium phosphide semiconductor.
About HoP5
HoP5 is a stable binary phosphide composed of holmium and phosphorus. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within the rare-earth phosphide family.
This material exhibits semiconducting electronic behavior, making it a subject of interest for fundamental studies in solid-state physics. Its existence across multiple reported structures highlights its significance in the exploration of lanthanide-based compounds.
Key Properties
Cross-validated computational properties for HoP5, 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 HoP5. 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 HoP5, 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 | 0.28 | 0.0000 | -0.584 | — |
| — | — | 0.22 | 0.0000 | -0.740 | — |
| P21/m (No. 11) | monoclinic | 0.11 | 0.0000 | -13.612 | 4.40 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.43 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.48 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.37 |
Applications
Where HoP5 is used.
Frequently Asked Questions
Common questions about HoP5, answered from cross-validated data.
What is HoP5?
HoP5 is a thermodynamically stable holmium phosphide semiconductor.
What is HoP5 used for?
What is the band gap of HoP5?
Is HoP5 a metal, semiconductor, or insulator?
Is HoP5 thermodynamically stable?
What is the crystal structure of HoP5?
How many polymorphs of HoP5 are known?
What elements does HoP5 contain?
Where does the data for HoP5 come from?
How It Compares
As a distinct binary phosphide, HoP5 occupies a unique position in the landscape of rare-earth phosphorus compounds, serving as a stable reference point for understanding the electronic and structural trends of holmium-based semiconductors.
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.
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