Cl12O4P4
Cl12O4P4 is a thermodynamically stable, wide-band-gap insulating compound composed of chlorine, oxygen, and phosphorus.
About Cl12O4P4
Cl12O4P4 is a distinct inorganic compound composed of chlorine, oxygen, and phosphorus. As a thermodynamically stable material situated on the convex hull, it represents a robust configuration within its chemical system.
Exhibiting wide-band-gap insulating characteristics, this compound is of interest for applications requiring stable dielectric properties. Its presence across multiple structural databases highlights its significance as a well-defined subject for ongoing materials research.
Key Properties
Cross-validated computational properties for Cl12O4P4, aggregated across 3 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.
Reported Structures
Lowest-energy structures reported for Cl12O4P4, 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 | 4.49 | 0.0000 | -4.769 | 2.00 |
| Pna21 (No. 33) | orthorhombic | 4.47 | 0.0032 | -4.766 | 1.73 |
| Pna21 (No. 33) | orthorhombic | 4.55 | 0.0091 | -4.760 | 1.48 |
| Pna21 (No. 33) | orthorhombic | 5.34 | 0.0186 | -4.750 | 1.59 |
| Pna21 (No. 33) | — | — | — | — | — |
| — | — | — | — | — | 1.69 |
| — | — | — | — | — | 1.69 |
| — | — | — | — | — | 1.94 |
Applications
Where Cl12O4P4 is used.
Frequently Asked Questions
Common questions about Cl12O4P4, answered from cross-validated data.
What is Cl12O4P4?
Cl12O4P4 is a thermodynamically stable, wide-band-gap insulating compound composed of chlorine, oxygen, and phosphorus.
What is Cl12O4P4 used for?
What is the band gap of Cl12O4P4?
Is Cl12O4P4 a metal, semiconductor, or insulator?
Is Cl12O4P4 thermodynamically stable?
What is the crystal structure of Cl12O4P4?
What is the density of Cl12O4P4?
How many polymorphs of Cl12O4P4 are known?
What elements does Cl12O4P4 contain?
Where does the data for Cl12O4P4 come from?
How It Compares
As a thermodynamically stable member of its chemical family, this compound serves as a baseline for understanding the structural diversity of phosphorus-oxygen-chlorine systems, where its insulating nature makes it a key reference point for future synthetic exploration.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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