Rb2CrCl4
Rb2CrCl4 is a thermodynamically stable semiconducting compound composed of rubidium, chromium, and chlorine.
About Rb2CrCl4
Rb2CrCl4 is a semiconducting inorganic compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. Its structural versatility is highlighted by its presence in multiple crystallographic databases, reflecting a high level of interest in its atomic arrangement.
As a stable semiconductor, this material serves as a subject of investigation for researchers looking to understand the interplay between its constituent elements. Its reliable formation makes it a compelling candidate for fundamental studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for Rb2CrCl4, 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 Rb2CrCl4, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.57 | 0.0000 | -4.622 | 2.96 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0066 | -4.615 | 3.00 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0067 | -4.615 | 3.00 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.4203 | -4.202 | 1.40 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.4697 | -4.152 | 3.23 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmce (No. 64) | Orthorhombic | — | — | — | 2.87 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 2.94 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 2.95 |
Applications
Where Rb2CrCl4 is used.
Frequently Asked Questions
Common questions about Rb2CrCl4, answered from cross-validated data.
What is Rb2CrCl4?
Rb2CrCl4 is a thermodynamically stable semiconducting compound composed of rubidium, chromium, and chlorine.
What is Rb2CrCl4 used for?
What is the band gap of Rb2CrCl4?
Is Rb2CrCl4 a metal, semiconductor, or insulator?
Is Rb2CrCl4 thermodynamically stable?
What is the crystal structure of Rb2CrCl4?
What is the density of Rb2CrCl4?
How many polymorphs of Rb2CrCl4 are known?
What elements does Rb2CrCl4 contain?
Where does the data for Rb2CrCl4 come from?
How It Compares
As a standalone entry in this context, Rb2CrCl4 represents a well-defined and thermodynamically stable example of a complex halide semiconductor. Its stability and structural data richness position it as a reliable benchmark for exploring the electronic behaviors inherent to this specific chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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