Ca2Cd1P2
This material is a ternary phosphide compound composed of calcium, cadmium, and phosphorus. It is primarily studied within the field of solid-state chemistry for its structural properties and potential electronic characteristics.
Key Properties
Cross-validated computational properties for Ca2Cd1P2, aggregated across 3 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 Ca2Cd1P2, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.29 | 0.0000 | -4.053 | 3.54 |
| No. 0 | unknown | — | — | — | 0.88 |
| P-3m1 (No. 164) | — | — | — | — | — |
Applications
Where Ca2Cd1P2 is used.
Frequently Asked Questions
Common questions about Ca2Cd1P2, answered from cross-validated data.
What is Ca2Cd1P2?
This material is a ternary phosphide compound composed of calcium, cadmium, and phosphorus. It is primarily studied within the field of solid-state chemistry for its structural properties and potential electronic characteristics.
What is Ca2Cd1P2 used for?
What is the band gap of Ca2Cd1P2?
Is Ca2Cd1P2 a metal, semiconductor, or insulator?
Is Ca2Cd1P2 thermodynamically stable?
What is the crystal structure of Ca2Cd1P2?
What is the density of Ca2Cd1P2?
How many polymorphs of Ca2Cd1P2 are known?
What elements does Ca2Cd1P2 contain?
Where does the data for Ca2Cd1P2 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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