Ca1Pd2Sb1
Ca1Pd2Sb1 is a metastable, semimetallic intermetallic compound containing calcium, palladium, and antimony, primarily studied for its electronic properties and catalytic potential.
About Ca1Pd2Sb1
Ca1Pd2Sb1 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, it behaves as a semimetal, which influences its potential for specialized catalytic activity and electronic applications.
As a metastable phase, this material represents a distinct structural arrangement within its chemical system. Its existence is supported by a significant collection of reported structures, highlighting its importance in fundamental materials science and the study of transition metal-based intermetallics.
Key Properties
Cross-validated computational properties for Ca1Pd2Sb1, 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 Ca1Pd2Sb1, 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 | 0.00 | 0.0603 | -4.828 | 7.94 |
| Immm (No. 71) | orthorhombic | 0.02 | 1.9820 | -2.906 | 0.61 |
| Cm (No. 8) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Applications
Where Ca1Pd2Sb1 is used.
Frequently Asked Questions
Common questions about Ca1Pd2Sb1, answered from cross-validated data.
What is Ca1Pd2Sb1?
Ca1Pd2Sb1 is a metastable, semimetallic intermetallic compound containing calcium, palladium, and antimony, primarily studied for its electronic properties and catalytic potential.
What is Ca1Pd2Sb1 used for?
What is the band gap of Ca1Pd2Sb1?
Is Ca1Pd2Sb1 a metal, semiconductor, or insulator?
Is Ca1Pd2Sb1 thermodynamically stable?
What is the crystal structure of Ca1Pd2Sb1?
What is the density of Ca1Pd2Sb1?
How many polymorphs of Ca1Pd2Sb1 are known?
What elements does Ca1Pd2Sb1 contain?
Where does the data for Ca1Pd2Sb1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, Ca1Pd2Sb1 occupies a unique niche compared to siblings like BaPd or GeRu. While many members of this class are explored for their robust stability or specific catalytic pathways, Ca1Pd2Sb1 is distinguished by its semimetallic electronic character and metastable nature, setting it apart from the more conventional metallic or semiconducting alloys in the series.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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).
Analyze Ca1Pd2Sb1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →