CaInPd2
This compound is a ternary intermetallic material composed of calcium, indium, and palladium. It is primarily studied in the field of solid-state chemistry and materials science for its unique structural properties and electronic characteristics.
Key Properties
Cross-validated computational properties for CaInPd2, 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 CaInPd2, 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 | 0.0301 | -19.556 | 7.99 |
| Immm (No. 71) | orthorhombic | 0.02 | 1.6521 | -17.934 | 0.55 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 8.00 |
| Fm-3m (No. 225) | Cubic | — | — | — | 8.12 |
| Fm-3m (No. 225) | Cubic | — | — | — | 7.76 |
| — | — | — | — | — | — |
Applications
Where CaInPd2 is used.
Frequently Asked Questions
Common questions about CaInPd2, answered from cross-validated data.
What is CaInPd2?
This compound is a ternary intermetallic material composed of calcium, indium, and palladium. It is primarily studied in the field of solid-state chemistry and materials science for its unique structural properties and electronic characteristics.
What is CaInPd2 used for?
What is the band gap of CaInPd2?
Is CaInPd2 a metal, semiconductor, or insulator?
Is CaInPd2 thermodynamically stable?
What is the crystal structure of CaInPd2?
What is the density of CaInPd2?
How many polymorphs of CaInPd2 are known?
What elements does CaInPd2 contain?
Where does the data for CaInPd2 come from?
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- alexandria — Data from alexandria.
- mpaloe — Data from mpaloe.
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