In2PO5
In2PO5 is a thermodynamically stable, semiconducting transparent conducting oxide used in the development of advanced electronic and optical materials.
About In2PO5
In2PO5 is a semiconducting oxide that sits firmly on the convex hull, indicating significant thermodynamic stability. As a member of the transparent conducting oxide family, it possesses a structural and electronic profile that makes it a compelling candidate for advanced electronic and optoelectronic device architectures.
Its role within the broader class of conducting oxides is defined by its specific indium-phosphorus-oxygen framework. This composition allows for a unique balance of transparency and charge carrier mobility, positioning it as a specialized material for next-generation thin-film technologies where stability and electronic performance are paramount.
Key Properties
Cross-validated computational properties for In2PO5, 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 In2PO5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for In2PO5, 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. |
|---|---|---|---|---|---|
| — | — | 2.58 | 0.0000 | -2.146 | — |
| P-1 (No. 2) | triclinic | 2.15 | 0.0000 | -1.978 | — |
| P-1 (No. 2) | triclinic | 2.07 | 0.0000 | -6.741 | 5.64 |
| P-1 (No. 2) | triclinic | — | — | — | 5.76 |
| P-1 (No. 2) | triclinic | — | — | — | 5.41 |
| P-1 (No. 2) | triclinic | — | — | — | 5.83 |
| P-1 (No. 2) | triclinic | — | — | — | 5.56 |
Applications
Where In2PO5 is used.
Frequently Asked Questions
Common questions about In2PO5, answered from cross-validated data.
What is In2PO5?
In2PO5 is a thermodynamically stable, semiconducting transparent conducting oxide used in the development of advanced electronic and optical materials.
What is In2PO5 used for?
What is the band gap of In2PO5?
Is In2PO5 a metal, semiconductor, or insulator?
Is In2PO5 thermodynamically stable?
What is the crystal structure of In2PO5?
How many polymorphs of In2PO5 are known?
What elements does In2PO5 contain?
Where does the data for In2PO5 come from?
How It Compares
Within the transparent conducting oxides class.
Compared to widely utilized transparent conducting oxides like ZnO or BaSnO3, In2PO5 offers a distinct chemical environment that influences its semiconducting behavior. While materials like ZnGa2O4 and CaIn2O4 are frequently studied for their specific optical transparency, In2PO5 provides a different structural pathway for charge transport, making it a valuable addition to the diverse landscape of oxide semiconductors.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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