C2H20Cd4Cl4O22P4
This complex inorganic compound is a cadmium-based phosphate material typically studied for its structural properties in solid-state chemistry. It is primarily utilized in academic research settings to explore coordination chemistry and the synthesis of metal-organic frameworks.
CCdClHOP
Overview
Key Properties
Cross-validated computational properties for C2H20Cd4Cl4O22P4, 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.
3.72 eV
Range across DFT structures
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.
0.142 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for C2H20Cd4Cl4O22P4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.72 | 0.1424 | -5.574 | 2.82 |
| — | — | — | — | — | 2.98 |
| No. 0 | unknown | — | — | — | 1.47 |
Uses
Applications
Where C2H20Cd4Cl4O22P4 is used.
Academic researchSolid-state chemistry studiesCoordination chemistry
Reference
Frequently Asked Questions
Common questions about C2H20Cd4Cl4O22P4, answered from cross-validated data.
What is C2H20Cd4Cl4O22P4?
This complex inorganic compound is a cadmium-based phosphate material typically studied for its structural properties in solid-state chemistry. It is primarily utilized in academic research settings to explore coordination chemistry and the synthesis of metal-organic frameworks.
What is C2H20Cd4Cl4O22P4 used for?
C2H20Cd4Cl4O22P4 is used in academic research, solid-state chemistry studies, and coordination chemistry.
What is the band gap of C2H20Cd4Cl4O22P4?
C2H20Cd4Cl4O22P4 has a DFT-computed band gap of 3.72 eV across 3 reported structures.
Is C2H20Cd4Cl4O22P4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.72 eV it is an insulator / wide-band-gap material.
Is C2H20Cd4Cl4O22P4 thermodynamically stable?
C2H20Cd4Cl4O22P4 has a lowest energy above hull of 0.142 eV/atom (above hull).
What is the crystal structure of C2H20Cd4Cl4O22P4?
The lowest-energy reported polymorph of C2H20Cd4Cl4O22P4 is triclinic symmetry, space group P-1 (No. 2).
What is the density of C2H20Cd4Cl4O22P4?
The computed density of the ground-state structure of C2H20Cd4Cl4O22P4 is 2.82 g/cm³.
How many polymorphs of C2H20Cd4Cl4O22P4 are known?
3 structures of C2H20Cd4Cl4O22P4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C2H20Cd4Cl4O22P4 contain?
C2H20Cd4Cl4O22P4 contains C, Cd, Cl, H, O, and P (6 elements).
Where does the data for C2H20Cd4Cl4O22P4 come from?
C2H20Cd4Cl4O22P4 data is cross-referenced from materials_project, omat24, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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