CoNiP
CoNiP is a thermodynamically stable metallic phosphide used in the study of thermoelectric and electronic materials.
About CoNiP
CoNiP is a metallic phosphide that exists as a thermodynamically stable phase on the convex hull. Its structural integrity and electronic properties make it a subject of significant interest within the broader family of phosphide-based materials.
As part of the skutterudite-related class, this compound is investigated for its role in energy conversion technologies. Its metallic nature distinguishes it from insulating counterparts, positioning it as a unique candidate for fundamental studies in solid-state physics.
Key Properties
Cross-validated computational properties for CoNiP, 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 CoNiP. 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 CoNiP, 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. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 0.00 | 0.0000 | -0.537 | — |
| — | — | 0.00 | 0.0000 | -0.667 | — |
| P-62m (No. 189) | hexagonal | 0.00 | 0.0000 | -11.914 | 7.81 |
| — | — | 0.00 | 0.0012 | -0.665 | — |
| — | — | 0.00 | 0.0096 | -0.657 | — |
| — | — | 3.29 | 0.0682 | -0.598 | — |
| P-62m (No. 189) | hexagonal | 0.00 | 0.0825 | -11.831 | 7.64 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.0835 | -0.454 | — |
| — | — | 0.00 | 0.0868 | -0.580 | — |
| — | — | 0.00 | 0.0871 | -0.579 | — |
| — | — | 0.00 | 0.1556 | -0.511 | — |
| — | — | 0.00 | 0.2400 | -0.427 | — |
Applications
Where CoNiP is used.
Frequently Asked Questions
Common questions about CoNiP, answered from cross-validated data.
What is CoNiP?
CoNiP is a thermodynamically stable metallic phosphide used in the study of thermoelectric and electronic materials.
What is CoNiP used for?
What is the band gap of CoNiP?
Is CoNiP a metal, semiconductor, or insulator?
Is CoNiP thermodynamically stable?
What is the crystal structure of CoNiP?
How many polymorphs of CoNiP are known?
What elements does CoNiP contain?
Where does the data for CoNiP come from?
How It Compares
Within the skutterudite thermoelectrics class.
Within the diverse group of phosphides like FeP and NiP2, CoNiP stands out due to its specific thermodynamic stability and distinct metallic character. While many members of this class are explored for their semiconducting potential, CoNiP offers a different electronic profile that complements the structural variety seen in compounds such as NiP and FeP2.
Related Compounds
Other Skutterudite Thermoelectrics in the database.
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)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
- 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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