CrP
CrP is a thermodynamically stable metallic compound composed of chromium and phosphorus.
About CrP
CrP is a metallic phosphide compound that holds a position of thermodynamic stability on the convex hull. Its electronic character is defined by its metallic nature, distinguishing it from insulating or semiconducting phosphides. The material is characterized by a high degree of structural diversity, supported by extensive reporting across multiple databases. This stability and electronic profile make it a significant subject of study in materials science research. Its structural robustness suggests potential utility in specialized electronic or catalytic applications where metallic conductivity is required alongside chemical durability.
Key Properties
Cross-validated computational properties for CrP, 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 CrP. 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 CrP, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -0.509 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -12.445 | 5.76 |
| — | — | 0.00 | 0.0060 | -0.659 | — |
| — | — | 0.00 | 0.0391 | -0.626 | — |
| — | — | 0.00 | 0.0397 | -0.626 | — |
| — | — | 0.00 | 0.1023 | -0.563 | — |
| — | — | 0.00 | 0.2565 | -0.409 | — |
| — | — | 0.00 | 0.3111 | -0.354 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3508 | -0.158 | — |
| — | — | 0.00 | 0.3633 | -0.302 | — |
| — | — | 0.00 | 0.4139 | -0.251 | — |
| — | — | 0.00 | 0.4549 | -0.210 | — |
Applications
Where CrP is used.
Frequently Asked Questions
Common questions about CrP, answered from cross-validated data.
What is CrP?
CrP is a thermodynamically stable metallic compound composed of chromium and phosphorus.
What is CrP used for?
What is the band gap of CrP?
Is CrP a metal, semiconductor, or insulator?
Is CrP thermodynamically stable?
What is the crystal structure of CrP?
How many polymorphs of CrP are known?
What elements does CrP contain?
Where does the data for CrP come from?
How It Compares
As a stable metallic phosphide, CrP represents a foundational example of transition metal pnictides. Without direct structural siblings in this specific dataset, it serves as a primary reference point for understanding the phase stability and metallic bonding characteristics inherent to the chromium-phosphorus system.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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.
Analyze CrP in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →