CsP7
CsP7 is a stable, semiconducting binary phosphide compound composed of cesium and phosphorus.
About CsP7
CsP7 is a thermodynamically stable binary phosphide that exists on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers unique electronic properties that distinguish it from metallic or insulating phosphorus-rich compounds.
Its existence across multiple structural databases highlights its importance in solid-state chemistry. Researchers study this compound to better understand the complex bonding environments of phosphorus networks stabilized by alkali metal cations.
Key Properties
Cross-validated computational properties for CsP7, 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 CsP7, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 1.28 | 0.0000 | -11.262 | 2.64 |
| Pca21 (No. 29) | orthorhombic | 1.31 | 0.0001 | -11.262 | 2.68 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 2.54 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 2.63 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 2.58 |
| Pbcm (No. 57) | — | — | — | — | — |
Applications
Where CsP7 is used.
Frequently Asked Questions
Common questions about CsP7, answered from cross-validated data.
What is CsP7?
CsP7 is a stable, semiconducting binary phosphide compound composed of cesium and phosphorus.
What is CsP7 used for?
What is the band gap of CsP7?
Is CsP7 a metal, semiconductor, or insulator?
Is CsP7 thermodynamically stable?
What is the crystal structure of CsP7?
What is the density of CsP7?
How many polymorphs of CsP7 are known?
What elements does CsP7 contain?
Where does the data for CsP7 come from?
How It Compares
As a member of the alkali metal polyphosphide family, CsP7 represents a stable configuration within the phosphorus-rich phase space. It serves as a critical reference point for understanding how larger alkali cations influence the geometry and electronic behavior of complex phosphorus frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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