ClOPr
ClOPr is a stable, wide-band-gap insulating compound containing praseodymium, oxygen, and chlorine.
About ClOPr
ClOPr is a distinct inorganic compound composed of chlorine, oxygen, and praseodymium. As a thermodynamically stable material residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
Characterized by its wide-band-gap insulating nature, this compound is of significant interest for research into electronic and optical materials. Its stability and electronic properties make it a subject of ongoing investigation for specialized applications requiring high-performance dielectric or insulating behavior.
Key Properties
Cross-validated computational properties for ClOPr, 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 ClOPr. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for ClOPr, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for ClOPr, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 4.70 | 0.0472 | -7.113 | 5.61 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 5.72 |
| — | — | — | — | — | 5.29 |
| P4/nmm (No. 129) | tetragonal | — | — | — | — |
Applications
Where ClOPr is used.
Frequently Asked Questions
Common questions about ClOPr, answered from cross-validated data.
What is ClOPr?
ClOPr is a stable, wide-band-gap insulating compound containing praseodymium, oxygen, and chlorine.
What is ClOPr used for?
What is the band gap of ClOPr?
Is ClOPr a metal, semiconductor, or insulator?
Is ClOPr thermodynamically stable?
What is the crystal structure of ClOPr?
What is the density of ClOPr?
How many polymorphs of ClOPr are known?
What elements does ClOPr contain?
Where does the data for ClOPr come from?
How It Compares
As a unique inorganic compound, ClOPr serves as a foundational reference point for praseodymium-based oxychlorides. It occupies a distinct structural niche, offering a stable baseline for understanding how the integration of rare-earth elements with halogens and oxygen influences material performance.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
Analyze ClOPr in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →