Cs2P3
Cs2P3 is a thermodynamically stable semiconducting compound composed of cesium and phosphorus.
About Cs2P3
Cs2P3 is a binary phosphide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline material of significant interest for fundamental solid-state research.
The compound is noted for its structural diversity, with multiple reported configurations across crystallographic databases. This complexity highlights its role as a versatile subject for studying phosphorus-based inorganic chemistry and the development of specialized electronic materials.
Key Properties
Cross-validated computational properties for Cs2P3, 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 Cs2P3. 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 Cs2P3, 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. |
|---|---|---|---|---|---|
| — | — | 0.90 | 0.0000 | -0.628 | — |
| Fmmm (No. 69) | orthorhombic | 0.85 | 0.0000 | -16.031 | 3.29 |
| Cm (No. 8) | monoclinic | — | — | — | 2.34 |
| P1 (No. 1) | triclinic | — | — | — | 2.28 |
| Pm (No. 6) | monoclinic | — | — | — | 3.19 |
| Pm (No. 6) | monoclinic | — | — | — | 2.12 |
| Pm (No. 6) | monoclinic | — | — | — | 3.54 |
| Pm (No. 6) | monoclinic | — | — | — | 2.22 |
| Pm (No. 6) | monoclinic | — | — | — | 3.79 |
| P1 (No. 1) | triclinic | — | — | — | 2.48 |
| Cm (No. 8) | monoclinic | — | — | — | 1.98 |
| C222 (No. 21) | orthorhombic | — | — | — | 2.54 |
Applications
Where Cs2P3 is used.
Frequently Asked Questions
Common questions about Cs2P3, answered from cross-validated data.
What is Cs2P3?
Cs2P3 is a thermodynamically stable semiconducting compound composed of cesium and phosphorus.
What is Cs2P3 used for?
What is the band gap of Cs2P3?
Is Cs2P3 a metal, semiconductor, or insulator?
Is Cs2P3 thermodynamically stable?
What is the crystal structure of Cs2P3?
What is the density of Cs2P3?
How many polymorphs of Cs2P3 are known?
What elements does Cs2P3 contain?
Where does the data for Cs2P3 come from?
How It Compares
As a stable binary phosphide, Cs2P3 serves as a foundational example of alkali metal-phosphorus bonding, providing a baseline for understanding the structural and electronic behavior of similar pnictide-based semiconductors.
Data sources & attribution
- 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.
- 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)
Analyze Cs2P3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →