AlBiCl
AlBiCl is a thermodynamically stable semiconducting material composed of aluminum, bismuth, and chlorine.
About AlBiCl
AlBiCl is a distinct inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of aluminum, bismuth, and chlorine atoms.
Its existence is supported by multiple reported structures across various materials databases, highlighting its significance in fundamental solid-state research. This compound serves as a subject of interest for scientists exploring the interplay of heavy elements and light metals in complex lattice frameworks.
Key Properties
Cross-validated computational properties for AlBiCl, aggregated across 4 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 AlBiCl, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 1.46 | 0.0000 | -4.070 | 4.11 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.64 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.04 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.13 |
| F-43m (No. 216) | — | — | — | — | — |
| P-6m2 (No. 187) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about AlBiCl, answered from cross-validated data.
What is AlBiCl?
AlBiCl is a thermodynamically stable semiconducting material composed of aluminum, bismuth, and chlorine.
What is the band gap of AlBiCl?
Is AlBiCl a metal, semiconductor, or insulator?
Is AlBiCl thermodynamically stable?
What is the crystal structure of AlBiCl?
What is the density of AlBiCl?
How many polymorphs of AlBiCl are known?
What elements does AlBiCl contain?
Where does the data for AlBiCl come from?
How It Compares
As a unique inorganic phase, AlBiCl occupies a specialized niche in materials science. Without direct structural siblings, it stands as a standalone example of how aluminum and bismuth can integrate within a chlorinated framework to achieve thermodynamic stability.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze AlBiCl in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →