In2Ni2O12Sr6
In2Ni2O12Sr6 is a thermodynamically stable, semiconducting quaternary oxide composed of indium, nickel, strontium, and oxygen.
About In2Ni2O12Sr6
In2Ni2O12Sr6 is a complex oxide featuring indium, nickel, strontium, and oxygen. As a thermodynamically stable material residing on the convex hull, it represents a robust structural arrangement that is of significant interest for materials research. Its electronic character is defined as semiconducting, making it a candidate for specialized electronic and optoelectronic environments. The existence of multiple reported structures across databases underscores its structural versatility and the ongoing scientific interest in its crystalline configuration. This compound serves as a critical example of how multi-element oxide systems can be tuned for specific electronic behaviors. Its stability suggests potential for integration into devices where material longevity and consistent electronic performance are required.
Key Properties
Cross-validated computational properties for In2Ni2O12Sr6, 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 In2Ni2O12Sr6, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.69 | 0.0000 | -6.349 | 5.92 |
| C2/c (No. 15) | monoclinic | 1.35 | 0.0033 | -6.346 | 5.71 |
| R-3c (No. 167) | trigonal | 0.00 | 0.0082 | -6.341 | 5.71 |
| — | — | — | — | — | 5.78 |
| R-3c (No. 167) | — | — | — | — | — |
Applications
Where In2Ni2O12Sr6 is used.
Frequently Asked Questions
Common questions about In2Ni2O12Sr6, answered from cross-validated data.
What is In2Ni2O12Sr6?
In2Ni2O12Sr6 is a thermodynamically stable, semiconducting quaternary oxide composed of indium, nickel, strontium, and oxygen.
What is In2Ni2O12Sr6 used for?
What is the band gap of In2Ni2O12Sr6?
Is In2Ni2O12Sr6 a metal, semiconductor, or insulator?
Is In2Ni2O12Sr6 thermodynamically stable?
What is the crystal structure of In2Ni2O12Sr6?
What is the density of In2Ni2O12Sr6?
How many polymorphs of In2Ni2O12Sr6 are known?
What elements does In2Ni2O12Sr6 contain?
Where does the data for In2Ni2O12Sr6 come from?
How It Compares
As a unique complex oxide, In2Ni2O12Sr6 occupies a specialized niche within the broader landscape of quaternary metal oxides. While many similar oxides are explored for catalytic or dielectric properties, this compound is distinguished by its specific stoichiometry and its position as a stable phase, providing a reliable baseline for studying the interplay between its constituent elements in a semiconducting framework.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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