Ca4In4P4
Ca4In4P4 is a stable semiconducting ternary compound consisting of calcium, indium, and phosphorus.
About Ca4In4P4
Ca4In4P4 is a complex inorganic compound composed of calcium, indium, and phosphorus. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental materials research.
The electronic character of this material is semiconducting, positioning it as a candidate for specialized electronic or optoelectronic applications. Its existence across multiple databases highlights its importance as a well-documented phase in the ternary calcium-indium-phosphorus system.
Key Properties
Cross-validated computational properties for Ca4In4P4, 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 Ca4In4P4, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.41 | 0.0000 | -14.799 | 4.14 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 4.26 |
| No. 0 | unknown | — | — | — | 1.27 |
Applications
Where Ca4In4P4 is used.
Frequently Asked Questions
Common questions about Ca4In4P4, answered from cross-validated data.
What is Ca4In4P4?
Ca4In4P4 is a stable semiconducting ternary compound consisting of calcium, indium, and phosphorus.
What is Ca4In4P4 used for?
What is the band gap of Ca4In4P4?
Is Ca4In4P4 a metal, semiconductor, or insulator?
Is Ca4In4P4 thermodynamically stable?
What is the crystal structure of Ca4In4P4?
What is the density of Ca4In4P4?
How many polymorphs of Ca4In4P4 are known?
What elements does Ca4In4P4 contain?
Where does the data for Ca4In4P4 come from?
How It Compares
As a thermodynamically stable semiconductor, Ca4In4P4 serves as a foundational example of complex ternary pnictide chemistry, providing a stable reference point for exploring the electronic properties of similar multinary phosphide frameworks.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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