Al1Ca2Na1
Al1Ca2Na1 is a semiconducting ternary intermetallic compound that exists in a metastable state.
About Al1Ca2Na1
Al1Ca2Na1 is a semiconducting ternary intermetallic compound composed of aluminum, calcium, and sodium. Its electronic properties suggest potential utility in specialized electronic applications where specific semiconducting behaviors are required.
Due to its position above the thermodynamic hull, this material is considered metastable. Despite this, it has been the subject of significant structural investigation, with numerous configurations reported across materials databases, highlighting its interest to the solid-state chemistry community.
Key Properties
Cross-validated computational properties for Al1Ca2Na1, 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 Al1Ca2Na1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.13 | 1.5282 | -4.718 | 0.13 |
| C2/m (No. 12) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Al1Ca2Na1 is used.
Frequently Asked Questions
Common questions about Al1Ca2Na1, answered from cross-validated data.
What is Al1Ca2Na1?
Al1Ca2Na1 is a semiconducting ternary intermetallic compound that exists in a metastable state.
What is Al1Ca2Na1 used for?
What is the band gap of Al1Ca2Na1?
Is Al1Ca2Na1 a metal, semiconductor, or insulator?
Is Al1Ca2Na1 thermodynamically stable?
What is the crystal structure of Al1Ca2Na1?
What is the density of Al1Ca2Na1?
How many polymorphs of Al1Ca2Na1 are known?
What elements does Al1Ca2Na1 contain?
Where does the data for Al1Ca2Na1 come from?
How It Compares
As a unique ternary intermetallic, Al1Ca2Na1 occupies a distinct space in materials research. While it lacks direct siblings in this specific dataset, its semiconducting nature and structural complexity distinguish it from simpler binary alloys, positioning it as a subject of interest for fundamental studies on metastable phase formation.
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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