Au1Ca2Sb1
Au1Ca2Sb1 is a metastable semiconducting intermetallic compound composed of gold, calcium, and antimony.
About Au1Ca2Sb1
Au1Ca2Sb1 is a complex intermetallic compound composed of gold, calcium, and antimony. As a metastable material, it represents a specific structural arrangement that offers intriguing possibilities for researchers investigating non-equilibrium phase stability in ternary systems. Its electronic character as a semiconductor suggests potential for specialized functional applications where specific charge transport properties are required. The material is currently a subject of interest in computational materials science, where its structural diversity is being mapped to understand the underlying bonding mechanisms of gold-based pnictides. By studying its metastable nature, scientists can gain deeper insights into the synthesis pathways and stability limits of complex metallic compounds.
Key Properties
Cross-validated computational properties for Au1Ca2Sb1, 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 Au1Ca2Sb1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.19 | 0.0434 | -3.769 | 6.27 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Au1Ca2Sb1 is used.
Frequently Asked Questions
Common questions about Au1Ca2Sb1, answered from cross-validated data.
What is Au1Ca2Sb1?
Au1Ca2Sb1 is a metastable semiconducting intermetallic compound composed of gold, calcium, and antimony.
What is Au1Ca2Sb1 used for?
What is the band gap of Au1Ca2Sb1?
Is Au1Ca2Sb1 a metal, semiconductor, or insulator?
Is Au1Ca2Sb1 thermodynamically stable?
What is the crystal structure of Au1Ca2Sb1?
What is the density of Au1Ca2Sb1?
How many polymorphs of Au1Ca2Sb1 are known?
What elements does Au1Ca2Sb1 contain?
Where does the data for Au1Ca2Sb1 come from?
How It Compares
As a unique ternary intermetallic, Au1Ca2Sb1 occupies a distinct niche in materials science. Without direct structural siblings in this specific class, it serves as a critical reference point for understanding how the integration of noble metals like gold with alkaline earth metals and pnictogens influences electronic behavior and structural metastability.
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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