Cl24Ga4Sb4
This inorganic compound is a complex halide structure containing gallium and antimony. It is primarily utilized in specialized materials science research for exploring semiconductor properties and crystal structure configurations.
ClGaSb
Overview
Key Properties
Cross-validated computational properties for Cl24Ga4Sb4, 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.
3.94 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Cl24Ga4Sb4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.94 | 0.0000 | -10.351 | 2.67 |
| — | — | — | — | — | 2.52 |
| — | — | — | — | — | 1.58 |
| P21/c (No. 14) | — | — | — | — | — |
Uses
Applications
Where Cl24Ga4Sb4 is used.
Materials science researchSemiconductor developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Cl24Ga4Sb4, answered from cross-validated data.
What is Cl24Ga4Sb4?
This inorganic compound is a complex halide structure containing gallium and antimony. It is primarily utilized in specialized materials science research for exploring semiconductor properties and crystal structure configurations.
More questions
What is Cl24Ga4Sb4 used for?
Cl24Ga4Sb4 is used in materials science research, semiconductor development, and solid-state chemistry studies.
What is the band gap of Cl24Ga4Sb4?
Cl24Ga4Sb4 has a DFT-computed band gap of 3.94 eV across 4 reported structures.
Is Cl24Ga4Sb4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.94 eV it is an insulator / wide-band-gap material.
Is Cl24Ga4Sb4 thermodynamically stable?
Yes — Cl24Ga4Sb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl24Ga4Sb4?
The lowest-energy reported polymorph of Cl24Ga4Sb4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cl24Ga4Sb4?
The computed density of the ground-state structure of Cl24Ga4Sb4 is 2.67 g/cm³.
How many polymorphs of Cl24Ga4Sb4 are known?
4 structures of Cl24Ga4Sb4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cl24Ga4Sb4 contain?
Cl24Ga4Sb4 contains Cl, Ga, and Sb (3 elements).
Where does the data for Cl24Ga4Sb4 come from?
Cl24Ga4Sb4 data is cross-referenced from materials_project, omat24, aflow.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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