Al1As2Li1
Al1As2Li1 is an unstable, semimetallic ternary compound consisting of aluminum, arsenic, and lithium.
About Al1As2Li1
Al1As2Li1 is a ternary inorganic compound composed of aluminum, arsenic, and lithium. It exhibits a semimetallic electronic character, placing it in a regime where valence and conduction bands overlap, suggesting potential for unique charge transport properties.
As a material that sits above the thermodynamic hull, it is considered metastable or unstable under standard conditions. Its existence in structural databases highlights the complexity of the aluminum-arsenic-lithium phase space and the challenges involved in synthesizing such specific stoichiometric arrangements.
Key Properties
Cross-validated computational properties for Al1As2Li1, aggregated across 2 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 Al1As2Li1, 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. |
|---|---|---|---|---|---|
| Ibca (No. 73) | orthorhombic | 0.01 | 0.2470 | -10.002 | 3.82 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Al1As2Li1, answered from cross-validated data.
What is Al1As2Li1?
Al1As2Li1 is an unstable, semimetallic ternary compound consisting of aluminum, arsenic, and lithium.
What is the band gap of Al1As2Li1?
Is Al1As2Li1 a metal, semiconductor, or insulator?
Is Al1As2Li1 thermodynamically stable?
What is the crystal structure of Al1As2Li1?
What is the density of Al1As2Li1?
How many polymorphs of Al1As2Li1 are known?
What elements does Al1As2Li1 contain?
Where does the data for Al1As2Li1 come from?
How It Compares
As a unique ternary phase, Al1As2Li1 represents an unconventional combination of elements that does not fit neatly into traditional semiconductor categories. Without direct structural siblings in its immediate class, it stands as an outlier in the exploration of complex lithium-based pnictides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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