RbInCl3
RbInCl3 is a stable, semiconducting ternary halide compound characterized by a diverse range of known structural configurations.
About RbInCl3
RbInCl3 is a ternary halide compound that exhibits semiconducting electronic behavior. Its position on the thermodynamic convex hull indicates that it is a stable phase, making it a reliable subject for structural and electronic investigation within halide material science.
With numerous reported structural variations across multiple databases, this compound demonstrates significant structural diversity. This richness in data highlights its importance as a model system for understanding the interplay between composition and atomic arrangement in complex halide frameworks.
Key Properties
Cross-validated computational properties for RbInCl3, 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 RbInCl3. 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 RbInCl3, 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. |
|---|---|---|---|---|---|
| — | — | 1.95 | 0.0000 | -1.654 | — |
| Fm-3m (No. 225) | cubic | 1.68 | 0.0000 | -3.626 | 3.11 |
| Fm-3m (No. 225) | cubic | 1.18 | 0.0000 | -1.483 | — |
| Cm (No. 8) | monoclinic | 0.00 | 0.0271 | -1.456 | — |
| R3c (No. 161) | trigonal | 0.00 | 0.0325 | -3.594 | 3.16 |
| P4mm (No. 99) | tetragonal | 0.00 | 0.0365 | -3.590 | 3.14 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0365 | -3.590 | 3.14 |
| — | — | 0.00 | 0.0569 | -1.597 | — |
| P4mm (No. 99) | tetragonal | — | — | — | 3.14 |
| P4mm (No. 99) | tetragonal | — | — | — | 3.27 |
| R3c (No. 161) | trigonal | — | — | — | 3.27 |
| P4mm (No. 99) | tetragonal | — | — | — | 3.24 |
Applications
Where RbInCl3 is used.
Frequently Asked Questions
Common questions about RbInCl3, answered from cross-validated data.
What is RbInCl3?
RbInCl3 is a stable, semiconducting ternary halide compound characterized by a diverse range of known structural configurations.
What is RbInCl3 used for?
What is the band gap of RbInCl3?
Is RbInCl3 a metal, semiconductor, or insulator?
Is RbInCl3 thermodynamically stable?
What is the crystal structure of RbInCl3?
What is the density of RbInCl3?
How many polymorphs of RbInCl3 are known?
What elements does RbInCl3 contain?
Where does the data for RbInCl3 come from?
How It Compares
As a stable semiconducting halide, RbInCl3 serves as a foundational example of ternary indium-based halides, providing a benchmark for structural stability and electronic performance in this material family.
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)
- 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.
Analyze RbInCl3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →