InP2Sc
InP2Sc is a semiconducting ternary compound of indium, phosphorus, and scandium that exists in a metastable state.
About InP2Sc
InP2Sc is a complex ternary compound composed of indium, phosphorus, and scandium. As a semiconducting material, it occupies a unique position in solid-state chemistry, drawing interest for its potential electronic properties and structural diversity.
Despite its existence in multiple structural configurations across research databases, the compound is characterized by its position above the thermodynamic hull. This suggests that while it can be synthesized or modeled, it remains a metastable phase requiring specific conditions for stability.
Key Properties
Cross-validated computational properties for InP2Sc, 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 InP2Sc, 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. |
|---|---|---|---|---|---|
| P-4m2 (No. 115) | tetragonal | 0.98 | 0.2983 | -13.709 | 3.49 |
| — | — | — | — | — | 4.67 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 4.57 |
Frequently Asked Questions
Common questions about InP2Sc, answered from cross-validated data.
What is InP2Sc?
InP2Sc is a semiconducting ternary compound of indium, phosphorus, and scandium that exists in a metastable state.
What is the band gap of InP2Sc?
Is InP2Sc a metal, semiconductor, or insulator?
Is InP2Sc thermodynamically stable?
What is the crystal structure of InP2Sc?
What is the density of InP2Sc?
How many polymorphs of InP2Sc are known?
What elements does InP2Sc contain?
Where does the data for InP2Sc come from?
How It Compares
As a unique ternary phase, InP2Sc represents a specialized area of study within inorganic chemistry. Unlike more common binary semiconductors, its complex stoichiometry and metastable nature make it a subject of interest for researchers exploring unconventional bonding environments and phase formation in multi-element systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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