Ba4In2O7
Ba4In2O7 is a metastable semiconducting oxide utilized in the research and development of transparent electronic materials.
About Ba4In2O7
Ba4In2O7 is a complex oxide belonging to the transparent conducting oxide family. As a semiconducting material, it represents a specialized niche within oxide electronics, characterized by a metastable phase that requires precise synthesis conditions to stabilize its structural framework.
Its significance lies in its potential for integration into optoelectronic devices where transparency and controlled charge carrier behavior are required. The compound is subject to ongoing research to determine how its unique atomic arrangement influences its electronic performance compared to more traditional oxide semiconductors.
Key Properties
Cross-validated computational properties for Ba4In2O7, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ba4In2O7. 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 Ba4In2O7, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.37 | 0.0878 | -6.143 | 5.58 |
| I4/mmm (No. 139) | tetragonal | 0.55 | 0.1041 | -2.305 | — |
| I4mm (No. 107) | tetragonal | 0.00 | 0.1190 | -6.112 | 5.69 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 5.81 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 5.94 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.76 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.76 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 5.58 |
Applications
Where Ba4In2O7 is used.
Frequently Asked Questions
Common questions about Ba4In2O7, answered from cross-validated data.
What is Ba4In2O7?
Ba4In2O7 is a metastable semiconducting oxide utilized in the research and development of transparent electronic materials.
What is Ba4In2O7 used for?
What is the band gap of Ba4In2O7?
Is Ba4In2O7 a metal, semiconductor, or insulator?
Is Ba4In2O7 thermodynamically stable?
What is the crystal structure of Ba4In2O7?
How many polymorphs of Ba4In2O7 are known?
What elements does Ba4In2O7 contain?
Where does the data for Ba4In2O7 come from?
How It Compares
Within the transparent conducting oxides class.
Within the diverse class of transparent conducting oxides, Ba4In2O7 occupies a distinct position compared to more established materials like ZnO or BaSnO3. While many siblings in this group are prized for their high conductivity and robust stability, Ba4In2O7 is noted for its metastability, making it a more challenging but scientifically intriguing subject for study in thin-film applications.
Related Compounds
Other Transparent Conducting Oxides in the database.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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