AlCl2Se
This compound is a synthetic inorganic material containing aluminum, chlorine, and selenium. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of more complex solid-state materials.
Key Properties
Cross-validated computational properties for AlCl2Se, 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 AlCl2Se, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 1.41 | 0.0000 | -9.636 | 2.44 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 3.80 |
Applications
Where AlCl2Se is used.
Frequently Asked Questions
Common questions about AlCl2Se, answered from cross-validated data.
What is AlCl2Se?
This compound is a synthetic inorganic material containing aluminum, chlorine, and selenium. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of more complex solid-state materials.
What is AlCl2Se used for?
What is the band gap of AlCl2Se?
Is AlCl2Se a metal, semiconductor, or insulator?
Is AlCl2Se thermodynamically stable?
What is the crystal structure of AlCl2Se?
What is the density of AlCl2Se?
How many polymorphs of AlCl2Se are known?
What elements does AlCl2Se contain?
Where does the data for AlCl2Se come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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