As2Pd
palladium diarsenide
Palladium diarsenide is a binary inorganic compound composed of palladium and arsenic. It is primarily studied in the context of solid-state chemistry and materials science research regarding transition metal pnictides.
Key Properties
Cross-validated computational properties for As2Pd, 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 As2Pd, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 0.00 | 0.0000 | -17.811 | 7.77 |
| Pa-3 (No. 205) | Cubic | — | — | — | 7.77 |
| Cc (No. 9) | Monoclinic | — | — | — | 5.89 |
| Cc (No. 9) | Monoclinic | — | — | — | 5.92 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.63 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.30 |
| C2 (No. 5) | Monoclinic | — | — | — | 10.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.62 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.41 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.23 |
Applications
Where As2Pd is used.
Frequently Asked Questions
Common questions about As2Pd, answered from cross-validated data.
What is As2Pd?
Palladium diarsenide is a binary inorganic compound composed of palladium and arsenic. It is primarily studied in the context of solid-state chemistry and materials science research regarding transition metal pnictides.
What is As2Pd used for?
What is the band gap of As2Pd?
Is As2Pd a metal, semiconductor, or insulator?
Is As2Pd thermodynamically stable?
What is the crystal structure of As2Pd?
What is the density of As2Pd?
How many polymorphs of As2Pd are known?
What elements does As2Pd contain?
Where does the data for As2Pd 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).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
Analyze As2Pd in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →