InP3Sr3
InP3Sr3 is a stable, semiconducting ternary compound consisting of indium, phosphorus, and strontium.
About InP3Sr3
InP3Sr3 is a complex ternary compound composed of indium, phosphorus, and strontium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic character, positioning it as a subject of interest for researchers investigating specialized electronic or optoelectronic applications. Its unique composition of pnictide and alkaline earth elements suggests a distinct electronic structure compared to simpler binary semiconductors.
Key Properties
Cross-validated computational properties for InP3Sr3, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of InP3Sr3. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for InP3Sr3, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for InP3Sr3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.81 | 0.0000 | -4.378 | 4.01 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.06 |
| Pnma (No. 62) | orthorhombic | — | — | 0.000 | — |
Frequently Asked Questions
Common questions about InP3Sr3, answered from cross-validated data.
What is InP3Sr3?
InP3Sr3 is a stable, semiconducting ternary compound consisting of indium, phosphorus, and strontium.
What is the band gap of InP3Sr3?
Is InP3Sr3 a metal, semiconductor, or insulator?
Is InP3Sr3 thermodynamically stable?
What is the crystal structure of InP3Sr3?
What is the density of InP3Sr3?
How many polymorphs of InP3Sr3 are known?
What elements does InP3Sr3 contain?
Where does the data for InP3Sr3 come from?
How It Compares
As a specialized ternary compound, InP3Sr3 occupies a unique niche in solid-state chemistry. Unlike simpler, more common binary phosphides, this material leverages the interplay between indium and strontium to achieve a stable semiconducting state, marking it as a sophisticated candidate for targeted materials design.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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